Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate
TL;DR: Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate (CAS 299166-81-7) is a chemical compound with molecular formula C27H24ClNO6 and molecular weight 493.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-chloro-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate
Also Known As: Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate, Methyl 1-chloro-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate, Methyl 7-(benzyloxy)-1-chloro-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate
| Molecular Formula | C27H24ClNO6 |
|---|---|
| Molecular Weight | 493.13 g/mol |
| LogP | 5.9466 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.1292 |
| Heavy Atoms | 35 |
| Complexity | 1348.4652 |
Chemical Identifiers
| CAS Number | 299166-81-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)Cl)C(=O)OC |
Product Overview
Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate (CAS 299166-81-7), with molecular formula C27H24ClNO6 and molecular weight 493.13 g/mol. IUPAC: methyl 1-chloro-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate.
Chemical Property Profile of Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate
Property Insights of Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate
The XLogP value of 5.9466 indicates that Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate. Following Lipinski's Rule of Five, Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate?
The CAS number of Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate is 299166-81-7.
What is the molecular formula of Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate?
The molecular formula of Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate is C27H24ClNO6.
What is the molecular weight of Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate?
The molecular weight of Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate is 493.13 g/mol.
Where can I buy Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate?
You can request a quote for Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-chloro-7-(phenylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.