A3861/0163996
TL;DR: A3861/0163996 (CAS 728027-16-5) is a chemical compound with molecular formula C29H25ClN2O5S and molecular weight 548.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-1-benzothiophene-2-carboxamide
Also Known As: A3861/0163996, 3-chloro-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-benzothiophene-2-carboxamide, 3-chloro-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzo[b]thiophene-2-carboxamide, 3-CHLORO-N-{2-[(6,7-DIMETHOXY-1-ISOQUINOLINYL)METHYL]-4,5-DIMETHOXYPHENYL}-1-BENZOTHIOPHENE-2-CARBOXAMIDE
| Molecular Formula | C29H25ClN2O5S |
|---|---|
| Molecular Weight | 548.12 g/mol |
| LogP | 6.9804 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.11725 |
| Heavy Atoms | 38 |
| Complexity | 1666.7456 |
Chemical Identifiers
| CAS Number | 728027-16-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=C(C5=CC=CC=C5S4)Cl)OC)OC)OC |
Product Overview
A3861/0163996 (CAS 728027-16-5), with molecular formula C29H25ClN2O5S and molecular weight 548.12 g/mol. IUPAC: 3-chloro-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of A3861/0163996
Property Insights of A3861/0163996
The XLogP value of 6.9804 indicates that A3861/0163996 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 A3861/0163996. Following Lipinski's Rule of Five, A3861/0163996 has 1 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 A3861/0163996?
The CAS number of A3861/0163996 is 728027-16-5.
What is the molecular formula of A3861/0163996?
The molecular formula of A3861/0163996 is C29H25ClN2O5S.
What is the molecular weight of A3861/0163996?
The molecular weight of A3861/0163996 is 548.12 g/mol.
Where can I buy A3861/0163996?
You can request a quote for A3861/0163996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3861/0163996?
Yes, KEHONG BIO provides custom synthesis services for A3861/0163996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.