A4011/0171029
TL;DR: A4011/0171029 (CAS 899370-56-0) is a chemical compound with molecular formula C20H18N4O7S and molecular weight 458.09 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)-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide
Also Known As: A4011/0171029, N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl)benzenesulfonamide, N-(6-ACETYL-2H-1,3-BENZODIOXOL-5-YL)-4-{1,3-DIOXO-HEXAHYDROPYRAZOLO[1,2-A][1,2,4]TRIAZOL-2-YL}BENZENE-1-SULFONAMIDE
| Molecular Formula | C20H18N4O7S |
|---|---|
| Molecular Weight | 458.09 g/mol |
| LogP | 0.9365 |
| Topological Polar Surface Area | 130.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.08963 |
| Heavy Atoms | 32 |
| Complexity | 1444.3116 |
Chemical Identifiers
| CAS Number | 899370-56-0 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1NS(=O)(=O)C3=CC=C(C=C3)N4C(=O)N5CCCN5C4=O)OCO2 |
Product Overview
A4011/0171029 (CAS 899370-56-0), with molecular formula C20H18N4O7S and molecular weight 458.09 g/mol. IUPAC: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide.
Chemical Property Profile of A4011/0171029
Property Insights of A4011/0171029
The XLogP value of 0.9365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4011/0171029. The TPSA of 130.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A4011/0171029. Following Lipinski's Rule of Five, A4011/0171029 has 1 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 A4011/0171029?
The CAS number of A4011/0171029 is 899370-56-0.
What is the molecular formula of A4011/0171029?
The molecular formula of A4011/0171029 is C20H18N4O7S.
What is the molecular weight of A4011/0171029?
The molecular weight of A4011/0171029 is 458.09 g/mol.
Where can I buy A4011/0171029?
You can request a quote for A4011/0171029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4011/0171029?
Yes, KEHONG BIO provides custom synthesis services for A4011/0171029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.