AB00685025-01
TL;DR: AB00685025-01 (CAS 863459-08-9) is a chemical compound with molecular formula C17H18N6O2S and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-morpholin-4-ylethanone
Also Known As: AB00685025-01, F0682-0676, 1-morpholino-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone, 2-{[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one, 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-morpholin-4-ylethanone
| Molecular Formula | C17H18N6O2S |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 1.46982 |
| Topological Polar Surface Area | 86.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.1212 |
| Heavy Atoms | 26 |
| Complexity | 920.6527 |
Chemical Identifiers
| CAS Number | 863459-08-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)N4CCOCC4)N=N2 |
Product Overview
AB00685025-01 (CAS 863459-08-9), with molecular formula C17H18N6O2S and molecular weight 370.12 g/mol. IUPAC: 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-morpholin-4-ylethanone.
Chemical Property Profile of AB00685025-01
Property Insights of AB00685025-01
The XLogP value of 1.46982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685025-01. The TPSA of 86.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685025-01. Following Lipinski's Rule of Five, AB00685025-01 has 0 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 AB00685025-01?
The CAS number of AB00685025-01 is 863459-08-9.
What is the molecular formula of AB00685025-01?
The molecular formula of AB00685025-01 is C17H18N6O2S.
What is the molecular weight of AB00685025-01?
The molecular weight of AB00685025-01 is 370.12 g/mol.
Where can I buy AB00685025-01?
You can request a quote for AB00685025-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685025-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685025-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.