Methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride

CAS No.：

Cat. No.: SC24625

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Product Name :Methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride

Cat. No.: :SC24625

Purity / Specification :—

CAS No. :1992989-11-3

MDL No. :MFCD27991978

Molecular Formula :C₉H₁₂ClNO₂S

LogP :1.60

Molecular Weight :233.71

TPSA :66.6

Category :Building Blocks

HSN Code :—

SMILES Code :COC(=O)c1cc2c(s1)CCNC2.Cl

Melting Point :—

InChI Key : :XTFUQNZBEFAKHW-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 233.7 Da

LogP ≤ 5✓ 1.60

HBD ≤ 5✓ 2

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

83/100

Good drug-like profile

Predicted LogP

1.60log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 66.6Å² · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.