7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile
TL;DR: 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile (CAS 4323-17-5) is a chemical compound with molecular formula C12H15N5S and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(6-sulfanylidene-3H-purin-9-yl)heptanenitrile
Also Known As: NCIOpen2_005255, 7-(6-sulfanylidene-3H-purin-9-yl)heptanenitrile, 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile
| Molecular Formula | C12H15N5S |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.96297 |
| Topological Polar Surface Area | 70.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.10483 |
| Heavy Atoms | 18 |
| Complexity | 606.6907 |
Chemical Identifiers
| CAS Number | 4323-17-5 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)CCCCCCC#N |
Product Overview
7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile (CAS 4323-17-5), with molecular formula C12H15N5S and molecular weight 261.10 g/mol. IUPAC: 7-(6-sulfanylidene-3H-purin-9-yl)heptanenitrile.
Chemical Property Profile of 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile
Property Insights of 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile
The XLogP value of 2.96297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile. The TPSA of 70.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile. Following Lipinski's Rule of Five, 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile 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 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile?
The CAS number of 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile is 4323-17-5.
What is the molecular formula of 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile?
The molecular formula of 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile is C12H15N5S.
What is the molecular weight of 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile?
The molecular weight of 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile is 261.10 g/mol.
Where can I buy 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile?
You can request a quote for 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.