BAS 00842871
TL;DR: BAS 00842871 (CAS 301681-98-1) is a chemical compound with molecular formula C21H25NO5S and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-4-methyl-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]thiophene-3-carboxylate
Also Known As: BAS 00842871, AF-399/11787533, ethyl 5-acetyl-2-{[(2-isopropylphenoxy)acetyl]amino}-4-methyl-3-thiophenecarboxylate, ethyl 5-acetyl-4-methyl-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]thiophene-3-carboxylate, ethyl 5-acetyl-4-methyl-2-{2-[2-(propan-2-yl)phenoxy]acetamido}thiophene-3-carboxylate
| Molecular Formula | C21H25NO5S |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 4.57672 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.14536 |
| Heavy Atoms | 28 |
| Complexity | 884.91626 |
Chemical Identifiers
| CAS Number | 301681-98-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC2=CC=CC=C2C(C)C |
Product Overview
BAS 00842871 (CAS 301681-98-1), with molecular formula C21H25NO5S and molecular weight 403.15 g/mol. IUPAC: ethyl 5-acetyl-4-methyl-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00842871
Property Insights of BAS 00842871
The XLogP value of 4.57672 indicates that BAS 00842871 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 BAS 00842871. Following Lipinski's Rule of Five, BAS 00842871 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 BAS 00842871?
The CAS number of BAS 00842871 is 301681-98-1.
What is the molecular formula of BAS 00842871?
The molecular formula of BAS 00842871 is C21H25NO5S.
What is the molecular weight of BAS 00842871?
The molecular weight of BAS 00842871 is 403.15 g/mol.
Where can I buy BAS 00842871?
You can request a quote for BAS 00842871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00842871?
Yes, KEHONG BIO provides custom synthesis services for BAS 00842871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.