ChemDiv3_010375
TL;DR: ChemDiv3_010375 (CAS 847403-61-6) is a chemical compound with molecular formula C21H19ClN4O3S2 and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(3-chlorophenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: ChemDiv3_010375, F0665-0700, BRD-A99323176-001-01-1, ethyl 2-((4-(3-chlorophenyl)-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate, ethyl 2-[[4-(3-chlorophenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate
| Molecular Formula | C21H19ClN4O3S2 |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 4.3891 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.05872 |
| Heavy Atoms | 31 |
| Complexity | 1297.2648 |
Chemical Identifiers
| CAS Number | 847403-61-6 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(N1C2=CC(=CC=C2)Cl)CN3C4=CC=CC=C4SC3=O |
Product Overview
ChemDiv3_010375 (CAS 847403-61-6), with molecular formula C21H19ClN4O3S2 and molecular weight 474.06 g/mol. IUPAC: ethyl 2-[[4-(3-chlorophenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate.
Chemical Property Profile of ChemDiv3_010375
Property Insights of ChemDiv3_010375
The XLogP value of 4.3891 indicates that ChemDiv3_010375 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010375. Following Lipinski's Rule of Five, ChemDiv3_010375 has 0 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 ChemDiv3_010375?
The CAS number of ChemDiv3_010375 is 847403-61-6.
What is the molecular formula of ChemDiv3_010375?
The molecular formula of ChemDiv3_010375 is C21H19ClN4O3S2.
What is the molecular weight of ChemDiv3_010375?
The molecular weight of ChemDiv3_010375 is 474.06 g/mol.
Where can I buy ChemDiv3_010375?
You can request a quote for ChemDiv3_010375 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010375?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.