9-benzyl-6-chloro-8-iodo-9H-purine
TL;DR: 9-benzyl-6-chloro-8-iodo-9H-purine (CAS 239784-06-6) is a chemical compound with molecular formula C12H8ClIN4 and molecular weight 369.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-6-chloro-8-iodopurine
Also Known As: 9-benzyl-6-chloro-8-iodo-9H-purine, 9-benzyl-6-chloro-8-iodopurine, 9-benzyl-6-chloro-8-iodo-purine, 6-Chloro-8-iodo-9-benzyl-9H-purine, J1.098.773C
| Molecular Formula | C12H8ClIN4 |
|---|---|
| Molecular Weight | 369.95 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.9482 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 239784-06-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)Cl)N=C2I |
| InChIKey | BFRNJTFJBLEFQT-UHFFFAOYSA-N |
Product Overview
9-benzyl-6-chloro-8-iodo-9H-purine (CAS 239784-06-6), with molecular formula C12H8ClIN4 and molecular weight 369.95 g/mol. IUPAC: 9-benzyl-6-chloro-8-iodopurine.
Chemical Property Profile of 9-benzyl-6-chloro-8-iodo-9H-purine
Property Insights of 9-benzyl-6-chloro-8-iodo-9H-purine
The XLogP value of 3.3 indicates that 9-benzyl-6-chloro-8-iodo-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, 9-benzyl-6-chloro-8-iodo-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-benzyl-6-chloro-8-iodo-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 9-benzyl-6-chloro-8-iodo-9H-purine?
The CAS number of 9-benzyl-6-chloro-8-iodo-9H-purine is 239784-06-6.
What is the molecular formula of 9-benzyl-6-chloro-8-iodo-9H-purine?
The molecular formula of 9-benzyl-6-chloro-8-iodo-9H-purine is C12H8ClIN4.
What is the molecular weight of 9-benzyl-6-chloro-8-iodo-9H-purine?
The molecular weight of 9-benzyl-6-chloro-8-iodo-9H-purine is 369.95 g/mol.
Where can I buy 9-benzyl-6-chloro-8-iodo-9H-purine?
You can request a quote for 9-benzyl-6-chloro-8-iodo-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-benzyl-6-chloro-8-iodo-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 9-benzyl-6-chloro-8-iodo-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.