6-Chloro-9-pentyl-9h-purine
TL;DR: 6-Chloro-9-pentyl-9h-purine (CAS 6627-31-2) is a chemical compound with molecular formula C10H13ClN4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-9-pentylpurine
Also Known As: 6-chloro-9-pentyl-9h-purine, 6-chloro-9-pentylpurine, 6-chloro-9-pentyl-purine, 9H-Purine, 6-chloro-9-pentyl-, J1.806.829J
| Molecular Formula | C10H13ClN4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.08287 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 6627-31-2 |
|---|---|
| SMILES | CCCCCN1C=NC2=C1N=CN=C2Cl |
| InChIKey | YNNXLQWGDZEFAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-9-pentyl-9h-purine (CAS 6627-31-2), with molecular formula C10H13ClN4 and molecular weight 224.08 g/mol. IUPAC: 6-chloro-9-pentylpurine.
Chemical Property Profile of 6-Chloro-9-pentyl-9h-purine
Property Insights of 6-Chloro-9-pentyl-9h-purine
The XLogP value of 3.1 indicates that 6-Chloro-9-pentyl-9h-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-pentyl-9h-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-9-pentyl-9h-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-pentyl-9h-purine?
The CAS number of 6-Chloro-9-pentyl-9h-purine is 6627-31-2.
What is the molecular formula of 6-Chloro-9-pentyl-9h-purine?
The molecular formula of 6-Chloro-9-pentyl-9h-purine is C10H13ClN4.
What is the molecular weight of 6-Chloro-9-pentyl-9h-purine?
The molecular weight of 6-Chloro-9-pentyl-9h-purine is 224.08 g/mol.
Where can I buy 6-Chloro-9-pentyl-9h-purine?
You can request a quote for 6-Chloro-9-pentyl-9h-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-pentyl-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-9-pentyl-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.