8-chloro-6-ethylsulfanyl-7H-purine
TL;DR: 8-chloro-6-ethylsulfanyl-7H-purine (CAS 99980-48-0) is a chemical compound with molecular formula C7H7ClN4S and molecular weight 214.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-6-ethylsulfanyl-7H-purine
Also Known As: 8-chloro-6-ethylsulfanyl-7H-purine, 9H-Purine, 8-chloro-6-(ethylthio)-
| Molecular Formula | C7H7ClN4S |
|---|---|
| Molecular Weight | 214.01 g/mol |
| LogP | 2.1183 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.008 |
| Heavy Atoms | 13 |
| Complexity | 427.3498 |
Chemical Identifiers
| CAS Number | 99980-48-0 |
|---|---|
| SMILES | CCSC1=NC=NC2=C1NC(=N2)Cl |
Product Overview
8-chloro-6-ethylsulfanyl-7H-purine (CAS 99980-48-0), with molecular formula C7H7ClN4S and molecular weight 214.01 g/mol. IUPAC: 8-chloro-6-ethylsulfanyl-7H-purine.
Chemical Property Profile of 8-chloro-6-ethylsulfanyl-7H-purine
Property Insights of 8-chloro-6-ethylsulfanyl-7H-purine
The XLogP value of 2.1183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-6-ethylsulfanyl-7H-purine. With a topological polar surface area (TPSA) of 54.46 Ų, 8-chloro-6-ethylsulfanyl-7H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-chloro-6-ethylsulfanyl-7H-purine 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 8-chloro-6-ethylsulfanyl-7H-purine?
The CAS number of 8-chloro-6-ethylsulfanyl-7H-purine is 99980-48-0.
What is the molecular formula of 8-chloro-6-ethylsulfanyl-7H-purine?
The molecular formula of 8-chloro-6-ethylsulfanyl-7H-purine is C7H7ClN4S.
What is the molecular weight of 8-chloro-6-ethylsulfanyl-7H-purine?
The molecular weight of 8-chloro-6-ethylsulfanyl-7H-purine is 214.01 g/mol.
Where can I buy 8-chloro-6-ethylsulfanyl-7H-purine?
You can request a quote for 8-chloro-6-ethylsulfanyl-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-chloro-6-ethylsulfanyl-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-6-ethylsulfanyl-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.