AB00667675-01
TL;DR: AB00667675-01 (CAS 332149-58-3) is a chemical compound with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-phenylethyl)-8-prop-2-enylsulfanylpurine-2,6-dione
Also Known As: AB00667675-01, AB00667675-02, 3-methyl-7-(2-phenylethyl)-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(allylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione, F0373-0959
| Molecular Formula | C17H18N4O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 1.9441 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.11505 |
| Heavy Atoms | 24 |
| Complexity | 985.4786 |
Chemical Identifiers
| CAS Number | 332149-58-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CCC3=CC=CC=C3 |
Product Overview
AB00667675-01 (CAS 332149-58-3), with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol. IUPAC: 3-methyl-7-(2-phenylethyl)-8-prop-2-enylsulfanylpurine-2,6-dione.
Chemical Property Profile of AB00667675-01
Property Insights of AB00667675-01
The XLogP value of 1.9441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00667675-01. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00667675-01. Following Lipinski's Rule of Five, AB00667675-01 has 1 hydrogen bond donor(s) and 4 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 AB00667675-01?
The CAS number of AB00667675-01 is 332149-58-3.
What is the molecular formula of AB00667675-01?
The molecular formula of AB00667675-01 is C17H18N4O2S.
What is the molecular weight of AB00667675-01?
The molecular weight of AB00667675-01 is 342.12 g/mol.
Where can I buy AB00667675-01?
You can request a quote for AB00667675-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667675-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667675-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.