AB01304555-01
TL;DR: AB01304555-01 (CAS 891282-43-2) is a chemical compound with molecular formula C20H19ClN4O3S and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AB01304555-01, Ethyl 4-[[2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-(2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-{2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}ben zoate, ethyl 4-(2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
| Molecular Formula | C20H19ClN4O3S |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | 4.043 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.08664 |
| Heavy Atoms | 29 |
| Complexity | 1020.82074 |
Chemical Identifiers
| CAS Number | 891282-43-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)Cl |
Product Overview
AB01304555-01 (CAS 891282-43-2), with molecular formula C20H19ClN4O3S and molecular weight 430.09 g/mol. IUPAC: ethyl 4-[[2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB01304555-01
Property Insights of AB01304555-01
The XLogP value of 4.043 indicates that AB01304555-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01304555-01. Following Lipinski's Rule of Five, AB01304555-01 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 AB01304555-01?
The CAS number of AB01304555-01 is 891282-43-2.
What is the molecular formula of AB01304555-01?
The molecular formula of AB01304555-01 is C20H19ClN4O3S.
What is the molecular weight of AB01304555-01?
The molecular weight of AB01304555-01 is 430.09 g/mol.
Where can I buy AB01304555-01?
You can request a quote for AB01304555-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01304555-01?
Yes, KEHONG BIO provides custom synthesis services for AB01304555-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.