ChemDiv1_009471
TL;DR: ChemDiv1_009471 (CAS 79420-23-8) is a chemical compound with molecular formula C16H16N4O3S2 and molecular weight 376.07 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)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv1_009471, BAS 03241742, ethyl 2-(2-((1H-benzo[d]imidazol-2-yl)thio)acetamido)-4-methylthiazole-5-carboxylate, ethyl 2-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate, ETHYL 2-[[(1H-BENZIMIDAZOL-2-YLSULFANYL)ACETYL]AMINO]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
| Molecular Formula | C16H16N4O3S2 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 3.23532 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.06638 |
| Heavy Atoms | 25 |
| Complexity | 886.14056 |
Chemical Identifiers
| CAS Number | 79420-23-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2)C |
Product Overview
ChemDiv1_009471 (CAS 79420-23-8), with molecular formula C16H16N4O3S2 and molecular weight 376.07 g/mol. IUPAC: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ChemDiv1_009471
Property Insights of ChemDiv1_009471
The XLogP value of 3.23532 indicates that ChemDiv1_009471 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_009471. Following Lipinski's Rule of Five, ChemDiv1_009471 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_009471?
The CAS number of ChemDiv1_009471 is 79420-23-8.
What is the molecular formula of ChemDiv1_009471?
The molecular formula of ChemDiv1_009471 is C16H16N4O3S2.
What is the molecular weight of ChemDiv1_009471?
The molecular weight of ChemDiv1_009471 is 376.07 g/mol.
Where can I buy ChemDiv1_009471?
You can request a quote for ChemDiv1_009471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009471?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.