BAS 14593818
TL;DR: BAS 14593818 (CAS 956627-63-7) is a chemical compound with molecular formula C15H15ClN4O3S and molecular weight 366.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Also Known As: BAS 14593818, AO-022/43455243, N-(4-chlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide, A4128/0176044, N-(4-chlorophenyl)-1-mercapto-4,4-dimethyl-3,8-dioxo-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
| Molecular Formula | C15H15ClN4O3S |
|---|---|
| Molecular Weight | 366.06 g/mol |
| LogP | 1.2897 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.05533 |
| Heavy Atoms | 24 |
| Complexity | 749.591 |
Chemical Identifiers
| CAS Number | 956627-63-7 |
|---|---|
| SMILES | CC1(C(=O)NC(=S)N2N1C(CC2=O)C(=O)NC3=CC=C(C=C3)Cl)C |
Product Overview
BAS 14593818 (CAS 956627-63-7), with molecular formula C15H15ClN4O3S and molecular weight 366.06 g/mol. IUPAC: N-(4-chlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carboxamide.
Chemical Property Profile of BAS 14593818
Property Insights of BAS 14593818
The XLogP value of 1.2897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 14593818. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 14593818. Following Lipinski's Rule of Five, BAS 14593818 has 2 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 BAS 14593818?
The CAS number of BAS 14593818 is 956627-63-7.
What is the molecular formula of BAS 14593818?
The molecular formula of BAS 14593818 is C15H15ClN4O3S.
What is the molecular weight of BAS 14593818?
The molecular weight of BAS 14593818 is 366.06 g/mol.
Where can I buy BAS 14593818?
You can request a quote for BAS 14593818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 14593818?
Yes, KEHONG BIO provides custom synthesis services for BAS 14593818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.