AS-871/42949130
TL;DR: AS-871/42949130 (CAS 685850-53-7) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AS-871/42949130, (E)-methyl 2-(3-(2-methoxyphenyl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F3098-8522, METHYL 2-[(2E)-3-(2-METHOXYPHENYL)PROP-2-ENAMIDO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H23NO4S |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 4.32 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.13477 |
| Heavy Atoms | 27 |
| Complexity | 884.30194 |
Chemical Identifiers
| CAS Number | 685850-53-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)/C=C/C3=CC=CC=C3OC |
Product Overview
AS-871/42949130 (CAS 685850-53-7), with molecular formula C21H23NO4S and molecular weight 385.13 g/mol. IUPAC: methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AS-871/42949130
Property Insights of AS-871/42949130
The XLogP value of 4.32 indicates that AS-871/42949130 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42949130. Following Lipinski's Rule of Five, AS-871/42949130 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-871/42949130?
The CAS number of AS-871/42949130 is 685850-53-7.
What is the molecular formula of AS-871/42949130?
The molecular formula of AS-871/42949130 is C21H23NO4S.
What is the molecular weight of AS-871/42949130?
The molecular weight of AS-871/42949130 is 385.13 g/mol.
Where can I buy AS-871/42949130?
You can request a quote for AS-871/42949130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42949130?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42949130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.