7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine
TL;DR: 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine (CAS 52536-31-9) is a chemical compound with molecular formula C18H22ClN7 and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]purin-6-amine
Also Known As: WW 345, BM 06001, BM 06,001, 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine, 9-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)-9H-purin-6-amine
| Molecular Formula | C18H22ClN7 |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.16254 |
| Heavy Atoms | 26 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 52536-31-9 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C=NC3=C(N=CN=C32)N)C4=CC(=CC=C4)Cl |
| InChIKey | BYSZERQSUKGGII-UHFFFAOYSA-N |
Product Overview
7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine (CAS 52536-31-9), with molecular formula C18H22ClN7 and molecular weight 371.16 g/mol. IUPAC: 9-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]purin-6-amine.
Chemical Property Profile of 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine
Property Insights of 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine. Following Lipinski's Rule of Five, 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine has 1 hydrogen bond donor(s) and 6 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 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine?
The CAS number of 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine is 52536-31-9.
What is the molecular formula of 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine?
The molecular formula of 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine is C18H22ClN7.
What is the molecular weight of 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine?
The molecular weight of 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine is 371.16 g/mol.
Where can I buy 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine?
You can request a quote for 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.