6-butylsulfanyl-2-chloro-7H-purine
TL;DR: 6-butylsulfanyl-2-chloro-7H-purine (CAS 646510-43-2) is a chemical compound with molecular formula C9H11ClN4S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butylsulfanyl-2-chloro-7H-purine
Also Known As: 6-butylsulfanyl-2-chloro-7H-purine, 6-Decylthio-9-acetamide-purine, 9H-Purine, 6-(butylthio)-2-chloro-, 6-butylsulfanyl-2-chloro-9H-purine, 1H-Purine, 6-(butylthio)-2-chloro-
| Molecular Formula | C9H11ClN4S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.03929 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 646510-43-2 |
|---|---|
| SMILES | CCCCSC1=NC(=NC2=C1NC=N2)Cl |
| InChIKey | IACNDGLKMNMZDN-UHFFFAOYSA-N |
Product Overview
6-butylsulfanyl-2-chloro-7H-purine (CAS 646510-43-2), with molecular formula C9H11ClN4S and molecular weight 242.04 g/mol. IUPAC: 6-butylsulfanyl-2-chloro-7H-purine.
Chemical Property Profile of 6-butylsulfanyl-2-chloro-7H-purine
Property Insights of 6-butylsulfanyl-2-chloro-7H-purine
The XLogP value of 3.2 indicates that 6-butylsulfanyl-2-chloro-7H-purine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-butylsulfanyl-2-chloro-7H-purine. Following Lipinski's Rule of Five, 6-butylsulfanyl-2-chloro-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 6-butylsulfanyl-2-chloro-7H-purine?
The CAS number of 6-butylsulfanyl-2-chloro-7H-purine is 646510-43-2.
What is the molecular formula of 6-butylsulfanyl-2-chloro-7H-purine?
The molecular formula of 6-butylsulfanyl-2-chloro-7H-purine is C9H11ClN4S.
What is the molecular weight of 6-butylsulfanyl-2-chloro-7H-purine?
The molecular weight of 6-butylsulfanyl-2-chloro-7H-purine is 242.04 g/mol.
Where can I buy 6-butylsulfanyl-2-chloro-7H-purine?
You can request a quote for 6-butylsulfanyl-2-chloro-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-butylsulfanyl-2-chloro-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-butylsulfanyl-2-chloro-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.