AS-871/43352530
TL;DR: AS-871/43352530 (CAS 847239-94-5) is a chemical compound with molecular formula C18H12N2O4S and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: AS-871/43352530, 2-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1,3-dioxoisoindoline-5-carboxylic acid, 2-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1,3-dioxo-5-isoindolinecarboxylic acid, 2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxoisoindole-5-carboxylic acid, 2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
| Molecular Formula | C18H12N2O4S |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 2.99738 |
| Topological Polar Surface Area | 98.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.0518 |
| Heavy Atoms | 25 |
| Complexity | 999.2355 |
Chemical Identifiers
| CAS Number | 847239-94-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)C#N |
Product Overview
AS-871/43352530 (CAS 847239-94-5), with molecular formula C18H12N2O4S and molecular weight 352.05 g/mol. IUPAC: 2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of AS-871/43352530
Property Insights of AS-871/43352530
The XLogP value of 2.99738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/43352530. The TPSA of 98.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43352530. Following Lipinski's Rule of Five, AS-871/43352530 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 AS-871/43352530?
The CAS number of AS-871/43352530 is 847239-94-5.
What is the molecular formula of AS-871/43352530?
The molecular formula of AS-871/43352530 is C18H12N2O4S.
What is the molecular weight of AS-871/43352530?
The molecular weight of AS-871/43352530 is 352.05 g/mol.
Where can I buy AS-871/43352530?
You can request a quote for AS-871/43352530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43352530?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43352530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.