AS-871/43357581
TL;DR: AS-871/43357581 (CAS 1095544-63-0) is a chemical compound with molecular formula C14H14ClN3O4S and molecular weight 355.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-5-carboxamide
Also Known As: AS-871/43357581, 5-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-3-carboxamide, 3-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxidotetrahydro-3-thienyl)-1H-pyrazole-5-carboxamide, 3-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-5-carboxamide, (5Z)-5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(1,1-dioxothiolan-3-yl)-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C14H14ClN3O4S |
|---|---|
| Molecular Weight | 355.04 g/mol |
| LogP | 1.3526 |
| Topological Polar Surface Area | 112.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.03937 |
| Heavy Atoms | 23 |
| Complexity | 862.65735 |
Chemical Identifiers
| CAS Number | 1095544-63-0 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)C2=CC(=NN2)C3=C(C=CC(=C3)Cl)O |
Product Overview
AS-871/43357581 (CAS 1095544-63-0), with molecular formula C14H14ClN3O4S and molecular weight 355.04 g/mol. IUPAC: 3-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-5-carboxamide.
Chemical Property Profile of AS-871/43357581
Property Insights of AS-871/43357581
The XLogP value of 1.3526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/43357581. The TPSA of 112.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43357581. Following Lipinski's Rule of Five, AS-871/43357581 has 3 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 AS-871/43357581?
The CAS number of AS-871/43357581 is 1095544-63-0.
What is the molecular formula of AS-871/43357581?
The molecular formula of AS-871/43357581 is C14H14ClN3O4S.
What is the molecular weight of AS-871/43357581?
The molecular weight of AS-871/43357581 is 355.04 g/mol.
Where can I buy AS-871/43357581?
You can request a quote for AS-871/43357581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43357581?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43357581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.