9-Benzyl-2-chloro-6-styryl-9H-purine
TL;DR: 9-Benzyl-2-chloro-6-styryl-9H-purine (CAS 176515-30-3) is a chemical compound with molecular formula C20H15ClN4 and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-2-chloro-6-(2-phenylethenyl)purine
Also Known As: 9-Benzyl-2-chloro-6-styryl-9H-purine, 9-Benzyl-2-chloro-6-(2-phenylethen-1-yl)-9H-purine, 9-benzyl-2-chloro-6-[(1E)-2-phenylethenyl]-9H-purine, 9H-Purine, 2-chloro-6-[(1E)-2-phenylethenyl]-9-(phenylmethyl)-
| Molecular Formula | C20H15ClN4 |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0985 |
| Heavy Atoms | 25 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 176515-30-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)C=CC4=CC=CC=C4 |
| InChIKey | SPGMYMVJTAHJGP-UHFFFAOYSA-N |
Product Overview
9-Benzyl-2-chloro-6-styryl-9H-purine (CAS 176515-30-3), with molecular formula C20H15ClN4 and molecular weight 346.10 g/mol. IUPAC: 9-benzyl-2-chloro-6-(2-phenylethenyl)purine.
Chemical Property Profile of 9-Benzyl-2-chloro-6-styryl-9H-purine
Property Insights of 9-Benzyl-2-chloro-6-styryl-9H-purine
The XLogP value of 4.9 indicates that 9-Benzyl-2-chloro-6-styryl-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-2-chloro-6-styryl-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Benzyl-2-chloro-6-styryl-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-2-chloro-6-styryl-9H-purine?
The CAS number of 9-Benzyl-2-chloro-6-styryl-9H-purine is 176515-30-3.
What is the molecular formula of 9-Benzyl-2-chloro-6-styryl-9H-purine?
The molecular formula of 9-Benzyl-2-chloro-6-styryl-9H-purine is C20H15ClN4.
What is the molecular weight of 9-Benzyl-2-chloro-6-styryl-9H-purine?
The molecular weight of 9-Benzyl-2-chloro-6-styryl-9H-purine is 346.10 g/mol.
Where can I buy 9-Benzyl-2-chloro-6-styryl-9H-purine?
You can request a quote for 9-Benzyl-2-chloro-6-styryl-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-2-chloro-6-styryl-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-2-chloro-6-styryl-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.