AB00685028-01
TL;DR: AB00685028-01 (CAS 863459-60-3) is a chemical compound with molecular formula C17H18N6O3S and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetyl]amino]acetate
Also Known As: AB00685028-01, F0682-0731, ethyl 2-(2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)acetate, ethyl 2-[[2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetyl]amino]acetate, ethyl 2-(2-{[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)acetate
| Molecular Formula | C17H18N6O3S |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 1.29032 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.11612 |
| Heavy Atoms | 27 |
| Complexity | 956.9621 |
Chemical Identifiers
| CAS Number | 863459-60-3 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)C |
Product Overview
AB00685028-01 (CAS 863459-60-3), with molecular formula C17H18N6O3S and molecular weight 386.12 g/mol. IUPAC: ethyl 2-[[2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetyl]amino]acetate.
Chemical Property Profile of AB00685028-01
Property Insights of AB00685028-01
The XLogP value of 1.29032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685028-01. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685028-01. Following Lipinski's Rule of Five, AB00685028-01 has 1 hydrogen bond donor(s) and 8 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 AB00685028-01?
The CAS number of AB00685028-01 is 863459-60-3.
What is the molecular formula of AB00685028-01?
The molecular formula of AB00685028-01 is C17H18N6O3S.
What is the molecular weight of AB00685028-01?
The molecular weight of AB00685028-01 is 386.12 g/mol.
Where can I buy AB00685028-01?
You can request a quote for AB00685028-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685028-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685028-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.