AB00684810-01
TL;DR: AB00684810-01 (CAS 852144-01-5) is a chemical compound with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AB00684810-01, F0653-0186, ethyl 4-(2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-(2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, Ethyl 4-[[2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C23H23N5O3S |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 4.3538 |
| Topological Polar Surface Area | 101.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.15216 |
| Heavy Atoms | 32 |
| Complexity | 1246.2507 |
Chemical Identifiers
| CAS Number | 852144-01-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CNC4=CC=CC=C43 |
Product Overview
AB00684810-01 (CAS 852144-01-5), with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol. IUPAC: ethyl 4-[[2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00684810-01
Property Insights of AB00684810-01
The XLogP value of 4.3538 indicates that AB00684810-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684810-01. Following Lipinski's Rule of Five, AB00684810-01 has 2 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 AB00684810-01?
The CAS number of AB00684810-01 is 852144-01-5.
What is the molecular formula of AB00684810-01?
The molecular formula of AB00684810-01 is C23H23N5O3S.
What is the molecular weight of AB00684810-01?
The molecular weight of AB00684810-01 is 449.15 g/mol.
Where can I buy AB00684810-01?
You can request a quote for AB00684810-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684810-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684810-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.