A4115/0175449
TL;DR: A4115/0175449 (CAS 893774-04-4) is a chemical compound with molecular formula C18H16N2O7S and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-1,3-benzodioxol-5-yl)-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
Also Known As: A4115/0175449, N-(6-acetyl-1,3-benzodioxol-5-yl)-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide, N-(6-ACETYL-2H-1,3-BENZODIOXOL-5-YL)-7-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONAMIDE
| Molecular Formula | C18H16N2O7S |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 2.05802 |
| Topological Polar Surface Area | 120.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0678 |
| Heavy Atoms | 28 |
| Complexity | 1125.2394 |
Chemical Identifiers
| CAS Number | 893774-04-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1S(=O)(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)NC(=O)CO2 |
Product Overview
A4115/0175449 (CAS 893774-04-4), with molecular formula C18H16N2O7S and molecular weight 404.07 g/mol. IUPAC: N-(6-acetyl-1,3-benzodioxol-5-yl)-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
Chemical Property Profile of A4115/0175449
Property Insights of A4115/0175449
The XLogP value of 2.05802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4115/0175449. The TPSA of 120.03 Ų falls within the moderate polarity range, balancing permeability and solubility for A4115/0175449. Following Lipinski's Rule of Five, A4115/0175449 has 2 hydrogen bond donor(s) and 7 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 A4115/0175449?
The CAS number of A4115/0175449 is 893774-04-4.
What is the molecular formula of A4115/0175449?
The molecular formula of A4115/0175449 is C18H16N2O7S.
What is the molecular weight of A4115/0175449?
The molecular weight of A4115/0175449 is 404.07 g/mol.
Where can I buy A4115/0175449?
You can request a quote for A4115/0175449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4115/0175449?
Yes, KEHONG BIO provides custom synthesis services for A4115/0175449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.