9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione
TL;DR: 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione (CAS 7292-59-3) is a chemical compound with molecular formula C17H18N4O2S2 and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione
Also Known As: 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione, O-Phenyl O-[5-(6-sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentyl] carbonothioate
| Molecular Formula | C17H18N4O2S2 |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 4.03969 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.08713 |
| Heavy Atoms | 25 |
| Complexity | 892.30414 |
Chemical Identifiers
| CAS Number | 7292-59-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=S)OCCCCCN2C=NC3=C2NC=NC3=S |
Product Overview
9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione (CAS 7292-59-3), with molecular formula C17H18N4O2S2 and molecular weight 374.09 g/mol. IUPAC: 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione.
Chemical Property Profile of 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione
Property Insights of 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione
The XLogP value of 4.03969 indicates that 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione. Following Lipinski's Rule of Five, 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione has 1 hydrogen bond donor(s) and 6 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 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione?
The CAS number of 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione is 7292-59-3.
What is the molecular formula of 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione?
The molecular formula of 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione is C17H18N4O2S2.
What is the molecular weight of 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione?
The molecular weight of 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione is 374.09 g/mol.
Where can I buy 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione?
You can request a quote for 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.