A4115/0175447
TL;DR: A4115/0175447 (CAS 893773-95-0) is a chemical compound with molecular formula C19H19ClN2O6S and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
Also Known As: A4115/0175447, 5-chloro-6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one, 5-chloro-6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one, 5-CHLORO-6-{[6,7-DIMETHOXY-3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]SULFONYL}-3-METHYL-1,3-BENZOXAZOL-2(3H)-ONE
| Molecular Formula | C19H19ClN2O6S |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 2.5491 |
| Topological Polar Surface Area | 90.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.06525 |
| Heavy Atoms | 29 |
| Complexity | 1278.0719 |
Chemical Identifiers
| CAS Number | 893773-95-0 |
|---|---|
| SMILES | CN1C2=CC(=C(C=C2OC1=O)S(=O)(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)Cl |
Product Overview
A4115/0175447 (CAS 893773-95-0), with molecular formula C19H19ClN2O6S and molecular weight 438.07 g/mol. IUPAC: 5-chloro-6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of A4115/0175447
Property Insights of A4115/0175447
The XLogP value of 2.5491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4115/0175447. The TPSA of 90.98 Ų falls within the moderate polarity range, balancing permeability and solubility for A4115/0175447. Following Lipinski's Rule of Five, A4115/0175447 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 A4115/0175447?
The CAS number of A4115/0175447 is 893773-95-0.
What is the molecular formula of A4115/0175447?
The molecular formula of A4115/0175447 is C19H19ClN2O6S.
What is the molecular weight of A4115/0175447?
The molecular weight of A4115/0175447 is 438.07 g/mol.
Where can I buy A4115/0175447?
You can request a quote for A4115/0175447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4115/0175447?
Yes, KEHONG BIO provides custom synthesis services for A4115/0175447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.