BAS 01317049
TL;DR: BAS 01317049 (CAS 330952-16-4) is a chemical compound with molecular formula C23H28N2O6S and molecular weight 460.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,2-dimethylpropanoylamino)-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: BAS 01317049, ethyl 2-(2,2-dimethylpropanoylamino)-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, ethyl 2-[(2,2-dimethylpropanoyl)amino]-5-{[4-(ethoxycarbonyl)anilino]carbonyl}-4-methyl-3-thiophenecarboxylate, ethyl 5-((4-(ethoxycarbonyl)phenyl)carbamoyl)-4-methyl-2-pivalamidothiophene-3-carboxylate, ethyl 2-[(2,2-dimethylpropanoyl)amino]-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate
| Molecular Formula | C23H28N2O6S |
|---|---|
| Molecular Weight | 460.17 g/mol |
| LogP | 4.64682 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.1668 |
| Heavy Atoms | 32 |
| Complexity | 1018.34296 |
Chemical Identifiers
| CAS Number | 330952-16-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C(C)(C)C)C(=O)OCC)C |
Product Overview
BAS 01317049 (CAS 330952-16-4), with molecular formula C23H28N2O6S and molecular weight 460.17 g/mol. IUPAC: ethyl 2-(2,2-dimethylpropanoylamino)-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of BAS 01317049
Property Insights of BAS 01317049
The XLogP value of 4.64682 indicates that BAS 01317049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01317049. Following Lipinski's Rule of Five, BAS 01317049 has 2 hydrogen bond donor(s) and 7 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 01317049?
The CAS number of BAS 01317049 is 330952-16-4.
What is the molecular formula of BAS 01317049?
The molecular formula of BAS 01317049 is C23H28N2O6S.
What is the molecular weight of BAS 01317049?
The molecular weight of BAS 01317049 is 460.17 g/mol.
Where can I buy BAS 01317049?
You can request a quote for BAS 01317049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01317049?
Yes, KEHONG BIO provides custom synthesis services for BAS 01317049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.