ChemDiv3_008673
TL;DR: ChemDiv3_008673 (CAS 689747-40-8) is a chemical compound with molecular formula C20H19FN4O3S and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-benzyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ChemDiv3_008673, IDI1_026583, BRD-K66496756-001-01-0, F0601-0018, methyl 2-[(4-benzyl-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C20H19FN4O3S |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 2.6606 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.11618 |
| Heavy Atoms | 29 |
| Complexity | 994.4012 |
Chemical Identifiers
| CAS Number | 689747-40-8 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F |
Product Overview
ChemDiv3_008673 (CAS 689747-40-8), with molecular formula C20H19FN4O3S and molecular weight 414.12 g/mol. IUPAC: methyl 2-[[4-benzyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv3_008673
Property Insights of ChemDiv3_008673
The XLogP value of 2.6606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008673. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008673. Following Lipinski's Rule of Five, ChemDiv3_008673 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 ChemDiv3_008673?
The CAS number of ChemDiv3_008673 is 689747-40-8.
What is the molecular formula of ChemDiv3_008673?
The molecular formula of ChemDiv3_008673 is C20H19FN4O3S.
What is the molecular weight of ChemDiv3_008673?
The molecular weight of ChemDiv3_008673 is 414.12 g/mol.
Where can I buy ChemDiv3_008673?
You can request a quote for ChemDiv3_008673 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008673?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008673 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.