A4132/0176201
TL;DR: A4132/0176201 (CAS 893772-63-9) is a chemical compound with molecular formula C21H23ClN4O6S and molecular weight 494.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-chloro-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
Also Known As: A4132/0176201, 4-[3-chloro-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione, 4-{3-chloro-4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl]phenyl}-1,2-dimethyl-1,2,4-triazolidine-3,5-dione, 4-{3-CHLORO-4-[(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)SULFONYL]PHENYL}-1,2-DIMETHYL-1,2,4-TRIAZOLIDINE-3,5-DIONE, 4-{4-[(6,7-dimethoxy(2-1,2,3,4-tetrahydroisoquinolyl))sulfonyl]-3-chlorophenyl }-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
| Molecular Formula | C21H23ClN4O6S |
|---|---|
| Molecular Weight | 494.10 g/mol |
| LogP | 1.2923 |
| Topological Polar Surface Area | 104.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.1027 |
| Heavy Atoms | 33 |
| Complexity | 1437.5812 |
Chemical Identifiers
| CAS Number | 893772-63-9 |
|---|---|
| SMILES | CN1C(=O)N(C(=O)N1C)C2=CC(=C(C=C2)S(=O)(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)Cl |
Product Overview
A4132/0176201 (CAS 893772-63-9), with molecular formula C21H23ClN4O6S and molecular weight 494.10 g/mol. IUPAC: 4-[3-chloro-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of A4132/0176201
Property Insights of A4132/0176201
The XLogP value of 1.2923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4132/0176201. The TPSA of 104.77 Ų falls within the moderate polarity range, balancing permeability and solubility for A4132/0176201. Following Lipinski's Rule of Five, A4132/0176201 has 0 hydrogen bond donor(s) and 6 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 A4132/0176201?
The CAS number of A4132/0176201 is 893772-63-9.
What is the molecular formula of A4132/0176201?
The molecular formula of A4132/0176201 is C21H23ClN4O6S.
What is the molecular weight of A4132/0176201?
The molecular weight of A4132/0176201 is 494.10 g/mol.
Where can I buy A4132/0176201?
You can request a quote for A4132/0176201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4132/0176201?
Yes, KEHONG BIO provides custom synthesis services for A4132/0176201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.