AS-871/40975644
TL;DR: AS-871/40975644 (CAS 442554-41-8) is a chemical compound with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AS-871/40975644, 6-methyl-2-{[(2,3,6-trimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-methyl-2-(2-(2,3,6-trimethylphenoxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 6-methyl-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-METHYL-2-[2-(2,3,6-TRIMETHYLPHENOXY)ACETAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C21H26N2O3S |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 3.91456 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1664 |
| Heavy Atoms | 27 |
| Complexity | 901.3171 |
Chemical Identifiers
| CAS Number | 442554-41-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC3=C(C=CC(=C3C)C)C |
Product Overview
AS-871/40975644 (CAS 442554-41-8), with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol. IUPAC: 6-methyl-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AS-871/40975644
Property Insights of AS-871/40975644
The XLogP value of 3.91456 indicates that AS-871/40975644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40975644. Following Lipinski's Rule of Five, AS-871/40975644 has 2 hydrogen bond donor(s) and 4 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-871/40975644?
The CAS number of AS-871/40975644 is 442554-41-8.
What is the molecular formula of AS-871/40975644?
The molecular formula of AS-871/40975644 is C21H26N2O3S.
What is the molecular weight of AS-871/40975644?
The molecular weight of AS-871/40975644 is 386.17 g/mol.
Where can I buy AS-871/40975644?
You can request a quote for AS-871/40975644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40975644?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40975644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.