3-(4-hydroxyphenyl)-2H-chromen-7-ol

CAS No.：

Cat. No.: SC251033

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Product Name :3-(4-hydroxyphenyl)-2H-chromen-7-ol

Cat. No.: :SC251033

Purity / Specification :—

CAS No. :81267-65-4

MDL No. :—

Molecular Formula :C₁₅H₁₂O₃

LogP :2.70

Molecular Weight :240.26

TPSA :49.7

Category :CRO / Contract Research

HSN Code :—

SMILES Code :C1C(=CC2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O

Melting Point :—

InChI Key : :ZZUBHVMHNVYXRR-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✓ 240.3 Da

LogP ≤ 5✓ 2.70

HBD ≤ 5✓ 2

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

84/100

Good drug-like profile

Predicted LogP

2.70log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 49.7Å² · 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.