AS-871/42864438
TL;DR: AS-871/42864438 (CAS 692279-43-9) is a chemical compound with molecular formula C20H22ClNO5S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetyl-2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-4-methylthiophene-3-carboxylate
Also Known As: AS-871/42864438, methyl 5-acetyl-2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-4-methylthiophene-3-carboxylate, methyl 5-acetyl-2-{[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino}-4-methyl-3-thiophenecarboxylate, methyl 5-acetyl-2-(2-(4-chloro-3,5-dimethylphenoxy)propanamido)-4-methylthiophene-3-carboxylate, methyl 5-acetyl-2-{[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C20H22ClNO5S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 4.72196 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.09073 |
| Heavy Atoms | 28 |
| Complexity | 927.30804 |
Chemical Identifiers
| CAS Number | 692279-43-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OC |
Product Overview
AS-871/42864438 (CAS 692279-43-9), with molecular formula C20H22ClNO5S and molecular weight 423.09 g/mol. IUPAC: methyl 5-acetyl-2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of AS-871/42864438
Property Insights of AS-871/42864438
The XLogP value of 4.72196 indicates that AS-871/42864438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42864438. Following Lipinski's Rule of Five, AS-871/42864438 has 1 hydrogen bond donor(s) and 6 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-871/42864438?
The CAS number of AS-871/42864438 is 692279-43-9.
What is the molecular formula of AS-871/42864438?
The molecular formula of AS-871/42864438 is C20H22ClNO5S.
What is the molecular weight of AS-871/42864438?
The molecular weight of AS-871/42864438 is 423.09 g/mol.
Where can I buy AS-871/42864438?
You can request a quote for AS-871/42864438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42864438?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42864438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.