ChemDiv1_010459
TL;DR: ChemDiv1_010459 (CAS 433235-84-8) is a chemical compound with molecular formula C18H20N4O3S2 and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv1_010459, BAS 03605219, ethyl 2-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-(2-((1H-benzo[d]imidazol-2-yl)thio)butanamido)-4-methylthiazole-5-carboxylate, 2-[2-(1H-Benzoimidazol-2-ylsulfanyl)-butyrylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester
| Molecular Formula | C18H20N4O3S2 |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 4.01392 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.0977 |
| Heavy Atoms | 27 |
| Complexity | 933.58154 |
Chemical Identifiers
| CAS Number | 433235-84-8 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=CC=CC=C3N2 |
Product Overview
ChemDiv1_010459 (CAS 433235-84-8), with molecular formula C18H20N4O3S2 and molecular weight 404.10 g/mol. IUPAC: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ChemDiv1_010459
Property Insights of ChemDiv1_010459
The XLogP value of 4.01392 indicates that ChemDiv1_010459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010459. Following Lipinski's Rule of Five, ChemDiv1_010459 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 ChemDiv1_010459?
The CAS number of ChemDiv1_010459 is 433235-84-8.
What is the molecular formula of ChemDiv1_010459?
The molecular formula of ChemDiv1_010459 is C18H20N4O3S2.
What is the molecular weight of ChemDiv1_010459?
The molecular weight of ChemDiv1_010459 is 404.10 g/mol.
Where can I buy ChemDiv1_010459?
You can request a quote for ChemDiv1_010459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010459?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.