AB00684573-01
TL;DR: AB00684573-01 (CAS 689750-05-8) is a chemical compound with molecular formula C21H21N5O6S and molecular weight 471.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(2-methoxyphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AB00684573-01, F0601-0073, ethyl 2-((4-(2-methoxyphenyl)-5-((4-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-{[4-(2-methoxyphenyl)-5-{[(4-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-[[4-(2-methoxyphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C21H21N5O6S |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 2.7693 |
| Topological Polar Surface Area | 138.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 471.12125 |
| Heavy Atoms | 33 |
| Complexity | 1148.3019 |
Chemical Identifiers
| CAS Number | 689750-05-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AB00684573-01 (CAS 689750-05-8), with molecular formula C21H21N5O6S and molecular weight 471.12 g/mol. IUPAC: ethyl 2-[[4-(2-methoxyphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of AB00684573-01
Property Insights of AB00684573-01
The XLogP value of 2.7693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684573-01. The TPSA of 138.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684573-01. Following Lipinski's Rule of Five, AB00684573-01 has 1 hydrogen bond donor(s) and 9 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 AB00684573-01?
The CAS number of AB00684573-01 is 689750-05-8.
What is the molecular formula of AB00684573-01?
The molecular formula of AB00684573-01 is C21H21N5O6S.
What is the molecular weight of AB00684573-01?
The molecular weight of AB00684573-01 is 471.12 g/mol.
Where can I buy AB00684573-01?
You can request a quote for AB00684573-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684573-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684573-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.