5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile
TL;DR: 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile (CAS 878431-79-9) is a chemical compound with molecular formula C15H19N5O2S and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile
Also Known As: BAS 12777294, 5-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile, 5-((7-allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)pentanenitrile, 5-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}pentanenitrile
| Molecular Formula | C15H19N5O2S |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 1.40568 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.12595 |
| Heavy Atoms | 23 |
| Complexity | 884.36523 |
Chemical Identifiers
| CAS Number | 878431-79-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCCC#N)CC=C |
Product Overview
5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile (CAS 878431-79-9), with molecular formula C15H19N5O2S and molecular weight 333.13 g/mol. IUPAC: 5-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile.
Chemical Property Profile of 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile
Property Insights of 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile
The XLogP value of 1.40568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile. Following Lipinski's Rule of Five, 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile has 0 hydrogen bond donor(s) and 5 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 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile?
The CAS number of 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile is 878431-79-9.
What is the molecular formula of 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile?
The molecular formula of 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile is C15H19N5O2S.
What is the molecular weight of 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile?
The molecular weight of 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile is 333.13 g/mol.
Where can I buy 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile?
You can request a quote for 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.