A4011/0171031
TL;DR: A4011/0171031 (CAS 899370-58-2) is a chemical compound with molecular formula C19H17N5O5S and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
Also Known As: A4011/0171031, 2-[4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione, 2-{4-[(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)sulfonyl]phenyl}dihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione, 2-{4-[(3-OXO-1,2,3,4-TETRAHYDROQUINOXALIN-1-YL)SULFONYL]PHENYL}-HEXAHYDROPYRAZOLO[1,2-A][1,2,4]TRIAZOLE-1,3-DIONE
| Molecular Formula | C19H17N5O5S |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 0.3518 |
| Topological Polar Surface Area | 115.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.09503 |
| Heavy Atoms | 30 |
| Complexity | 1362.8021 |
Chemical Identifiers
| CAS Number | 899370-58-2 |
|---|---|
| SMILES | C1CN2C(=O)N(C(=O)N2C1)C3=CC=C(C=C3)S(=O)(=O)N4CC(=O)NC5=CC=CC=C54 |
Product Overview
A4011/0171031 (CAS 899370-58-2), with molecular formula C19H17N5O5S and molecular weight 427.10 g/mol. IUPAC: 2-[4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione.
Chemical Property Profile of A4011/0171031
Property Insights of A4011/0171031
The XLogP value of 0.3518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4011/0171031. The TPSA of 115.41 Ų falls within the moderate polarity range, balancing permeability and solubility for A4011/0171031. Following Lipinski's Rule of Five, A4011/0171031 has 1 hydrogen bond donor(s) and 5 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 A4011/0171031?
The CAS number of A4011/0171031 is 899370-58-2.
What is the molecular formula of A4011/0171031?
The molecular formula of A4011/0171031 is C19H17N5O5S.
What is the molecular weight of A4011/0171031?
The molecular weight of A4011/0171031 is 427.10 g/mol.
Where can I buy A4011/0171031?
You can request a quote for A4011/0171031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4011/0171031?
Yes, KEHONG BIO provides custom synthesis services for A4011/0171031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.