BAS 00836749
TL;DR: BAS 00836749 (CAS 304892-91-9) 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-[[2-(2-tert-butylphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: BAS 00836749, AF-399/11787208, ethyl 5-acetyl-2-{[(2-tert-butylphenoxy)acetyl]amino}-4-methyl-3-thiophenecarboxylate, ethyl 5-acetyl-2-[[2-(2-tert-butylphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-[2-(2-tert-butylphenoxy)acetamido]-4-methylthiophene-3-carboxylate
| Molecular Formula | C22H27NO5S |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 4.75082 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.16098 |
| Heavy Atoms | 29 |
| Complexity | 923.7692 |
Chemical Identifiers
| CAS Number | 304892-91-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC2=CC=CC=C2C(C)(C)C |
Product Overview
BAS 00836749 (CAS 304892-91-9), with molecular formula C22H27NO5S and molecular weight 417.16 g/mol. IUPAC: ethyl 5-acetyl-2-[[2-(2-tert-butylphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of BAS 00836749
Property Insights of BAS 00836749
The XLogP value of 4.75082 indicates that BAS 00836749 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 00836749. Following Lipinski's Rule of Five, BAS 00836749 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 00836749?
The CAS number of BAS 00836749 is 304892-91-9.
What is the molecular formula of BAS 00836749?
The molecular formula of BAS 00836749 is C22H27NO5S.
What is the molecular weight of BAS 00836749?
The molecular weight of BAS 00836749 is 417.16 g/mol.
Where can I buy BAS 00836749?
You can request a quote for BAS 00836749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836749?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.