AO-080/42479934
TL;DR: AO-080/42479934 (CAS 650593-94-5) is a chemical compound with molecular formula C27H25ClN2O5 and molecular weight 492.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]benzamide
Also Known As: AO-080/42479934, 4-chloro-N-{2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}benzamide, 4-chloro-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]benzamide, 4-chloro-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide, 4-CHLORO-N-{2-[(6,7-DIMETHOXYISOQUINOLIN-1-YL)METHYL]-4,5-DIMETHOXYPHENYL}BENZAMIDE
| Molecular Formula | C27H25ClN2O5 |
|---|---|
| Molecular Weight | 492.15 g/mol |
| LogP | 5.7657 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.1452 |
| Heavy Atoms | 35 |
| Complexity | 1372.6154 |
Chemical Identifiers
| CAS Number | 650593-94-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=C(C=C4)Cl)OC)OC)OC |
Product Overview
AO-080/42479934 (CAS 650593-94-5), with molecular formula C27H25ClN2O5 and molecular weight 492.15 g/mol. IUPAC: 4-chloro-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]benzamide.
Chemical Property Profile of AO-080/42479934
Property Insights of AO-080/42479934
The XLogP value of 5.7657 indicates that AO-080/42479934 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479934. Following Lipinski's Rule of Five, AO-080/42479934 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-080/42479934?
The CAS number of AO-080/42479934 is 650593-94-5.
What is the molecular formula of AO-080/42479934?
The molecular formula of AO-080/42479934 is C27H25ClN2O5.
What is the molecular weight of AO-080/42479934?
The molecular weight of AO-080/42479934 is 492.15 g/mol.
Where can I buy AO-080/42479934?
You can request a quote for AO-080/42479934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479934?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.