ChemDiv2_006037
TL;DR: ChemDiv2_006037 (CAS 689747-35-1) is a chemical compound with molecular formula C17H21FN4O3S and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-butyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ChemDiv2_006037, IDI1_004752, F0601-0016, methyl 2-[(4-butyl-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl 2-((4-butyl-5-((2-fluorobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C17H21FN4O3S |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 2.4124 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 380.13184 |
| Heavy Atoms | 26 |
| Complexity | 766.2163 |
Chemical Identifiers
| CAS Number | 689747-35-1 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=CC=C2F |
Product Overview
ChemDiv2_006037 (CAS 689747-35-1), with molecular formula C17H21FN4O3S and molecular weight 380.13 g/mol. IUPAC: methyl 2-[[4-butyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv2_006037
Property Insights of ChemDiv2_006037
The XLogP value of 2.4124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006037. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006037. Following Lipinski's Rule of Five, ChemDiv2_006037 has 1 hydrogen bond donor(s) and 6 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 ChemDiv2_006037?
The CAS number of ChemDiv2_006037 is 689747-35-1.
What is the molecular formula of ChemDiv2_006037?
The molecular formula of ChemDiv2_006037 is C17H21FN4O3S.
What is the molecular weight of ChemDiv2_006037?
The molecular weight of ChemDiv2_006037 is 380.13 g/mol.
Where can I buy ChemDiv2_006037?
You can request a quote for ChemDiv2_006037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006037?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.