6-Chloro-9-(1-phenylethyl)purine
TL;DR: 6-Chloro-9-(1-phenylethyl)purine (CAS 112089-31-3) is a chemical compound with molecular formula C13H11ClN4 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-9-(1-phenylethyl)purine
Also Known As: 6-chloro-9-(1-phenylethyl)purine, 6-Chloro-9-(1-phenylethyl)-9H-purine, 9H-Purine,6-chloro-9-[(1R)-1-phenylethyl]-, 6-Chloro-9-(1-phenyl-ethyl)-9H-purine, (R)-6-chloro-9-(1-phenylethyl)-9H-purine
| Molecular Formula | C13H11ClN4 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.06723 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 112089-31-3 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C=NC3=C2N=CN=C3Cl |
| InChIKey | XTFDZVGPYVRMGL-UHFFFAOYSA-N |
Product Overview
6-Chloro-9-(1-phenylethyl)purine (CAS 112089-31-3), with molecular formula C13H11ClN4 and molecular weight 258.07 g/mol. IUPAC: 6-chloro-9-(1-phenylethyl)purine.
Chemical Property Profile of 6-Chloro-9-(1-phenylethyl)purine
Property Insights of 6-Chloro-9-(1-phenylethyl)purine
The XLogP value of 3.2 indicates that 6-Chloro-9-(1-phenylethyl)purine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 6-Chloro-9-(1-phenylethyl)purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-9-(1-phenylethyl)purine has 0 hydrogen bond donor(s) and 3 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-Chloro-9-(1-phenylethyl)purine?
The CAS number of 6-Chloro-9-(1-phenylethyl)purine is 112089-31-3.
What is the molecular formula of 6-Chloro-9-(1-phenylethyl)purine?
The molecular formula of 6-Chloro-9-(1-phenylethyl)purine is C13H11ClN4.
What is the molecular weight of 6-Chloro-9-(1-phenylethyl)purine?
The molecular weight of 6-Chloro-9-(1-phenylethyl)purine is 258.07 g/mol.
Where can I buy 6-Chloro-9-(1-phenylethyl)purine?
You can request a quote for 6-Chloro-9-(1-phenylethyl)purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-9-(1-phenylethyl)purine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-9-(1-phenylethyl)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.