6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine
TL;DR: 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine (CAS 34171-45-4) is a chemical compound with molecular formula C14H14ClN5S and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-9-(2-chloroethyl)purin-2-amine
Also Known As: 6-(benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine, 6-benzylsulfanyl-9-(2-chloroethyl)purin-2-amine, 6-(Benzylthio)-9-(2-chloroethyl)-9H-purin-2-amine, 9H-Purine, 2-amino-6-(benzylthio)-9-(2-chloroethyl)-, 9H-Purin-2-amine,9-(2-chloroethyl)-6-[(phenylmethyl)thio]-
| Molecular Formula | C14H14ClN5S |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.06586 |
| Heavy Atoms | 21 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 34171-45-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3CCCl)N |
| InChIKey | VGUUZKDHSQUQAN-UHFFFAOYSA-N |
Product Overview
6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine (CAS 34171-45-4), with molecular formula C14H14ClN5S and molecular weight 319.07 g/mol. IUPAC: 6-benzylsulfanyl-9-(2-chloroethyl)purin-2-amine.
Chemical Property Profile of 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine
Property Insights of 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine. Following Lipinski's Rule of Five, 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine has 1 hydrogen bond donor(s) and 5 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-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine?
The CAS number of 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine is 34171-45-4.
What is the molecular formula of 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine?
The molecular formula of 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine is C14H14ClN5S.
What is the molecular weight of 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine?
The molecular weight of 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine is 319.07 g/mol.
Where can I buy 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine?
You can request a quote for 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzylsulfanyl)-9-(2-chloroethyl)-9h-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.