AB01304532-01
TL;DR: AB01304532-01 (CAS 896071-21-9) is a chemical compound with molecular formula C24H21ClN4O4S and molecular weight 496.10 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-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AB01304532-01, ethyl 4-(2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-(2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-[({[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-[[2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C24H21ClN4O4S |
|---|---|
| Molecular Weight | 496.10 g/mol |
| LogP | 5.1473 |
| Topological Polar Surface Area | 99.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.0972 |
| Heavy Atoms | 34 |
| Complexity | 1272.6372 |
Chemical Identifiers
| CAS Number | 896071-21-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl |
Product Overview
AB01304532-01 (CAS 896071-21-9), with molecular formula C24H21ClN4O4S and molecular weight 496.10 g/mol. IUPAC: ethyl 4-[[2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB01304532-01
Property Insights of AB01304532-01
The XLogP value of 5.1473 indicates that AB01304532-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01304532-01. Following Lipinski's Rule of Five, AB01304532-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01304532-01?
The CAS number of AB01304532-01 is 896071-21-9.
What is the molecular formula of AB01304532-01?
The molecular formula of AB01304532-01 is C24H21ClN4O4S.
What is the molecular weight of AB01304532-01?
The molecular weight of AB01304532-01 is 496.10 g/mol.
Where can I buy AB01304532-01?
You can request a quote for AB01304532-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01304532-01?
Yes, KEHONG BIO provides custom synthesis services for AB01304532-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.