BAS 04381976
TL;DR: BAS 04381976 (CAS 528888-95-1) is a chemical compound with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[2-(2-methylquinoline-4-carbonyl)oxybutanoylamino]-1,3-thiazole-5-carboxylate
Also Known As: BAS 04381976, 1-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-1-oxobutan-2-yl 2-methylquinoline-4-carboxylate, ethyl 4-methyl-2-(2-((2-methylquinoline-4-carbonyl)oxy)butanamido)thiazole-5-carboxylate, 1-{[5-(ETHOXYCARBONYL)-4-METHYL-1,3-THIAZOL-2-YL]CARBAMOYL}PROPYL 2-METHYLQUINOLINE-4-CARBOXYLATE, ETHYL 4-METHYL-2-[(2-{[(2-METHYL-4-QUINOLYL)CARBONYL]OXY}BUTANOYL)AMINO]-1,3-THIAZOLE-5-CARBOXYLATE
| Molecular Formula | C22H23N3O5S |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 4.05894 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.13583 |
| Heavy Atoms | 31 |
| Complexity | 1141.3768 |
Chemical Identifiers
| CAS Number | 528888-95-1 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C |
Product Overview
BAS 04381976 (CAS 528888-95-1), with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol. IUPAC: ethyl 4-methyl-2-[2-(2-methylquinoline-4-carbonyl)oxybutanoylamino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of BAS 04381976
Property Insights of BAS 04381976
The XLogP value of 4.05894 indicates that BAS 04381976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04381976. Following Lipinski's Rule of Five, BAS 04381976 has 1 hydrogen bond donor(s) and 8 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 04381976?
The CAS number of BAS 04381976 is 528888-95-1.
What is the molecular formula of BAS 04381976?
The molecular formula of BAS 04381976 is C22H23N3O5S.
What is the molecular weight of BAS 04381976?
The molecular weight of BAS 04381976 is 441.14 g/mol.
Where can I buy BAS 04381976?
You can request a quote for BAS 04381976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04381976?
Yes, KEHONG BIO provides custom synthesis services for BAS 04381976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.