6-Chloro-9-prop-2-enylpurine
TL;DR: 6-Chloro-9-prop-2-enylpurine (CAS 112615-71-1) is a chemical compound with molecular formula C8H7ClN4 and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-9-prop-2-enylpurine
Also Known As: 9-allyl-6-chloro-9H-purine, 6-Chloro-9-allyl-9H-purine, 6-chloro-9-prop-2-enylpurine, 6-chloro-9-(prop-2-en-1-yl)-9h-purine, J1.973.800K
| Molecular Formula | C8H7ClN4 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.03592 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 112615-71-1 |
|---|---|
| SMILES | C=CCN1C=NC2=C1N=CN=C2Cl |
| InChIKey | NWYUAMYVLXYJNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-9-prop-2-enylpurine (CAS 112615-71-1), with molecular formula C8H7ClN4 and molecular weight 194.04 g/mol. IUPAC: 6-chloro-9-prop-2-enylpurine.
Chemical Property Profile of 6-Chloro-9-prop-2-enylpurine
Property Insights of 6-Chloro-9-prop-2-enylpurine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-9-prop-2-enylpurine. With a topological polar surface area (TPSA) of 43.6 Ų, 6-Chloro-9-prop-2-enylpurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-9-prop-2-enylpurine 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-prop-2-enylpurine?
The CAS number of 6-Chloro-9-prop-2-enylpurine is 112615-71-1.
What is the molecular formula of 6-Chloro-9-prop-2-enylpurine?
The molecular formula of 6-Chloro-9-prop-2-enylpurine is C8H7ClN4.
What is the molecular weight of 6-Chloro-9-prop-2-enylpurine?
The molecular weight of 6-Chloro-9-prop-2-enylpurine is 194.04 g/mol.
Where can I buy 6-Chloro-9-prop-2-enylpurine?
You can request a quote for 6-Chloro-9-prop-2-enylpurine 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-prop-2-enylpurine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-9-prop-2-enylpurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.