2-amino-9-(4-chlorophenyl)-3H-purine-6-thione
TL;DR: 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione (CAS 91183-14-1) is a chemical compound with molecular formula C11H8ClN5S and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-(4-chlorophenyl)-3H-purine-6-thione
Also Known As: 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione, 2-Amino-9-(4-chlorophenyl)-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C11H8ClN5S |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 2.71369 |
| Topological Polar Surface Area | 72.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.0189 |
| Heavy Atoms | 18 |
| Complexity | 774.2231 |
Chemical Identifiers
| CAS Number | 91183-14-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=NC3=C2NC(=NC3=S)N)Cl |
Product Overview
2-amino-9-(4-chlorophenyl)-3H-purine-6-thione (CAS 91183-14-1), with molecular formula C11H8ClN5S and molecular weight 277.02 g/mol. IUPAC: 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione.
Chemical Property Profile of 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione
Property Insights of 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione
The XLogP value of 2.71369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione. The TPSA of 72.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione. Following Lipinski's Rule of Five, 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione has 2 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 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione?
The CAS number of 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione is 91183-14-1.
What is the molecular formula of 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione?
The molecular formula of 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione is C11H8ClN5S.
What is the molecular weight of 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione?
The molecular weight of 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione is 277.02 g/mol.
Where can I buy 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione?
You can request a quote for 2-amino-9-(4-chlorophenyl)-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 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-9-(4-chlorophenyl)-3H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.