AS-871/41471417
TL;DR: AS-871/41471417 (CAS 449749-25-1) is a chemical compound with molecular formula C22H27NO5S and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-methylthiophene-3-carboxylate
Also Known As: AS-871/41471417, ethyl 5-acetyl-2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-{[4-(2,5-dimethylphenoxy)butanoyl]amino}-4-methyl-3-thiophenecarboxylate, ethyl 5-acetyl-2-(4-(2,5-dimethylphenoxy)butanamido)-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-methylthiophene-3-ca rboxylate
| Molecular Formula | C22H27NO5S |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 4.85036 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.16098 |
| Heavy Atoms | 29 |
| Complexity | 916.1667 |
Chemical Identifiers
| CAS Number | 449749-25-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCOC2=C(C=CC(=C2)C)C |
Product Overview
AS-871/41471417 (CAS 449749-25-1), with molecular formula C22H27NO5S and molecular weight 417.16 g/mol. IUPAC: ethyl 5-acetyl-2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of AS-871/41471417
Property Insights of AS-871/41471417
The XLogP value of 4.85036 indicates that AS-871/41471417 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-871/41471417. Following Lipinski's Rule of Five, AS-871/41471417 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-871/41471417?
The CAS number of AS-871/41471417 is 449749-25-1.
What is the molecular formula of AS-871/41471417?
The molecular formula of AS-871/41471417 is C22H27NO5S.
What is the molecular weight of AS-871/41471417?
The molecular weight of AS-871/41471417 is 417.16 g/mol.
Where can I buy AS-871/41471417?
You can request a quote for AS-871/41471417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41471417?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41471417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.