AS-871/41198983
TL;DR: AS-871/41198983 (CAS 465513-77-3) is a chemical compound with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AS-871/41198983, F1736-1960, (E)-methyl 2-(2-cyano-3-(4-hydroxy-3-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-[(2E)-2-CYANO-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H20N2O5S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 3.67338 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.10928 |
| Heavy Atoms | 29 |
| Complexity | 1032.423 |
Chemical Identifiers
| CAS Number | 465513-77-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)O |
Product Overview
AS-871/41198983 (CAS 465513-77-3), with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AS-871/41198983
Property Insights of AS-871/41198983
The XLogP value of 3.67338 indicates that AS-871/41198983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.65 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41198983. Following Lipinski's Rule of Five, AS-871/41198983 has 2 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 AS-871/41198983?
The CAS number of AS-871/41198983 is 465513-77-3.
What is the molecular formula of AS-871/41198983?
The molecular formula of AS-871/41198983 is C21H20N2O5S.
What is the molecular weight of AS-871/41198983?
The molecular weight of AS-871/41198983 is 412.11 g/mol.
Where can I buy AS-871/41198983?
You can request a quote for AS-871/41198983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41198983?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41198983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.