BAS 01547418
TL;DR: BAS 01547418 (CAS 332905-36-9) is a chemical compound with molecular formula C21H25ClN2O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxylate
Also Known As: BAS 01547418, ethyl 5-((3-chloro-2-methylphenyl)carbamoyl)-4-methyl-2-pivalamidothiophene-3-carboxylate, ethyl 2-(2,2-dimethylpropanoylamino)-5-[N-(3-chloro-2-methylphenyl)carbamoyl]- 4-methylthiophene-3-carboxylate, ETHYL 5-[(3-CHLORO-2-METHYLPHENYL)CARBAMOYL]-2-(2,2-DIMETHYLPROPANAMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H25ClN2O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 5.43194 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.12234 |
| Heavy Atoms | 29 |
| Complexity | 960.32117 |
Chemical Identifiers
| CAS Number | 332905-36-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C(=CC=C2)Cl)C)NC(=O)C(C)(C)C |
Product Overview
BAS 01547418 (CAS 332905-36-9), with molecular formula C21H25ClN2O4S and molecular weight 436.12 g/mol. IUPAC: ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of BAS 01547418
Property Insights of BAS 01547418
The XLogP value of 5.43194 indicates that BAS 01547418 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01547418. Following Lipinski's Rule of Five, BAS 01547418 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01547418?
The CAS number of BAS 01547418 is 332905-36-9.
What is the molecular formula of BAS 01547418?
The molecular formula of BAS 01547418 is C21H25ClN2O4S.
What is the molecular weight of BAS 01547418?
The molecular weight of BAS 01547418 is 436.12 g/mol.
Where can I buy BAS 01547418?
You can request a quote for BAS 01547418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01547418?
Yes, KEHONG BIO provides custom synthesis services for BAS 01547418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.