AB00410011-04
TL;DR: AB00410011-04 (CAS 685860-39-3) is a chemical compound with molecular formula C16H22N8O2S and molecular weight 390.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-8-piperidin-1-ylpurine-2,6-dione
Also Known As: AB00410011-04, 3-methyl-7-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0570-0017, 3-methyl-7-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-8-piperidin-1-ylpurine-2,6-dione, 3-methyl-7-[2-(4-methyl(1,2,4-triazol-3-ylthio))ethyl]-8-piperidyl-1,3,7-trihy dropurine-2,6-dione
| Molecular Formula | C16H22N8O2S |
|---|---|
| Molecular Weight | 390.16 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.15863 |
| Heavy Atoms | 27 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 685860-39-3 |
|---|---|
| SMILES | CN1C=NN=C1SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C |
| InChIKey | FQNZUAORWUHHOS-UHFFFAOYSA-N |
Product Overview
AB00410011-04 (CAS 685860-39-3), with molecular formula C16H22N8O2S and molecular weight 390.16 g/mol. IUPAC: 3-methyl-7-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of AB00410011-04
Property Insights of AB00410011-04
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00410011-04. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00410011-04. Following Lipinski's Rule of Five, AB00410011-04 has 1 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 AB00410011-04?
The CAS number of AB00410011-04 is 685860-39-3.
What is the molecular formula of AB00410011-04?
The molecular formula of AB00410011-04 is C16H22N8O2S.
What is the molecular weight of AB00410011-04?
The molecular weight of AB00410011-04 is 390.16 g/mol.
Where can I buy AB00410011-04?
You can request a quote for AB00410011-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00410011-04?
Yes, KEHONG BIO provides custom synthesis services for AB00410011-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.