Methyl 1-chloroisoquinoline-4-carboxylate
TL;DR: Methyl 1-chloroisoquinoline-4-carboxylate (CAS 37497-86-2) is a chemical compound with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-chloroisoquinoline-4-carboxylate
Also Known As: Methyl 1-chloroisoquinoline-4-carboxylate, methyl 1-chloro-4-isoquinolinecarboxylate, 2-Methylbenzo[b]thiophene, methylchloroisoquinolinecarboxylate, 1-chloro-isoquinoline-4-carboxylic acid methyl ester
| Molecular Formula | C11H8ClNO2 |
|---|---|
| Molecular Weight | 221.02 g/mol |
| LogP | 2.6748 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.02435 |
| Heavy Atoms | 15 |
| Complexity | 524.97687 |
Chemical Identifiers
| CAS Number | 37497-86-2 |
|---|---|
| SMILES | COC(=O)C1=CN=C(C2=CC=CC=C21)Cl |
Product Overview
Methyl 1-chloroisoquinoline-4-carboxylate (CAS 37497-86-2), with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol. IUPAC: methyl 1-chloroisoquinoline-4-carboxylate.
Chemical Property Profile of Methyl 1-chloroisoquinoline-4-carboxylate
Property Insights of Methyl 1-chloroisoquinoline-4-carboxylate
The XLogP value of 2.6748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-chloroisoquinoline-4-carboxylate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 1-chloroisoquinoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-chloroisoquinoline-4-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 1-chloroisoquinoline-4-carboxylate?
The CAS number of Methyl 1-chloroisoquinoline-4-carboxylate is 37497-86-2.
What is the molecular formula of Methyl 1-chloroisoquinoline-4-carboxylate?
The molecular formula of Methyl 1-chloroisoquinoline-4-carboxylate is C11H8ClNO2.
What is the molecular weight of Methyl 1-chloroisoquinoline-4-carboxylate?
The molecular weight of Methyl 1-chloroisoquinoline-4-carboxylate is 221.02 g/mol.
Where can I buy Methyl 1-chloroisoquinoline-4-carboxylate?
You can request a quote for Methyl 1-chloroisoquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-chloroisoquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-chloroisoquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.