3-chloro-1-phenylpropan-1-ol
CAS No.：
Cat. No.: SC251534
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :3-chloro-1-phenylpropan-1-ol
Cat. No.: :SC251534
Purity / Specification :—
CAS No. :18776-12-0
MDL No. :—
Molecular Formula :C9H11ClO
LogP :2.00
Molecular Weight :170.64
TPSA :20.2
Category :API Impurities
HSN Code :—
SMILES Code :C1=CC=C(C=C1)C(CCCl)O
Melting Point :—
InChI Key : :JZFUHAGLMZWKTF-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 170.6 Da
LogP ≤ 5✓ 2.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i62/100
Moderate — typical building block
Predicted LogP
i2.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 20.2Ų · 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.