F2649-0038
TL;DR: F2649-0038 (CAS 734534-91-9) is a chemical compound with molecular formula C18H18N6O3S and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F2649-0038, ethyl 4-(2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, ethyl 4-(2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[({[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C18H18N6O3S |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 1.9614 |
| Topological Polar Surface Area | 125.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.11612 |
| Heavy Atoms | 28 |
| Complexity | 959.2121 |
Chemical Identifiers
| CAS Number | 734534-91-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 |
Product Overview
F2649-0038 (CAS 734534-91-9), with molecular formula C18H18N6O3S and molecular weight 398.12 g/mol. IUPAC: ethyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F2649-0038
Property Insights of F2649-0038
The XLogP value of 1.9614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2649-0038. The TPSA of 125.02 Ų falls within the moderate polarity range, balancing permeability and solubility for F2649-0038. Following Lipinski's Rule of Five, F2649-0038 has 2 hydrogen bond donor(s) and 8 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 F2649-0038?
The CAS number of F2649-0038 is 734534-91-9.
What is the molecular formula of F2649-0038?
The molecular formula of F2649-0038 is C18H18N6O3S.
What is the molecular weight of F2649-0038?
The molecular weight of F2649-0038 is 398.12 g/mol.
Where can I buy F2649-0038?
You can request a quote for F2649-0038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2649-0038?
Yes, KEHONG BIO provides custom synthesis services for F2649-0038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.