AB00684815-01
TL;DR: AB00684815-01 (CAS 852144-97-9) is a chemical compound with molecular formula C19H23N5O4S and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: AB00684815-01, F0653-0315, ethyl 2-(2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate, ethyl 2-(2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-[[2-[[(5Z)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
| Molecular Formula | C19H23N5O4S |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 1.8442 |
| Topological Polar Surface Area | 111.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.14706 |
| Heavy Atoms | 29 |
| Complexity | 984.0535 |
Chemical Identifiers
| CAS Number | 852144-97-9 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1CCOC)C2=CNC3=CC=CC=C32 |
Product Overview
AB00684815-01 (CAS 852144-97-9), with molecular formula C19H23N5O4S and molecular weight 417.15 g/mol. IUPAC: ethyl 2-[[2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of AB00684815-01
Property Insights of AB00684815-01
The XLogP value of 1.8442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684815-01. The TPSA of 111.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684815-01. Following Lipinski's Rule of Five, AB00684815-01 has 2 hydrogen bond donor(s) and 7 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 AB00684815-01?
The CAS number of AB00684815-01 is 852144-97-9.
What is the molecular formula of AB00684815-01?
The molecular formula of AB00684815-01 is C19H23N5O4S.
What is the molecular weight of AB00684815-01?
The molecular weight of AB00684815-01 is 417.15 g/mol.
Where can I buy AB00684815-01?
You can request a quote for AB00684815-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684815-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684815-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.