BAS 13117327
TL;DR: BAS 13117327 (CAS 887030-32-2) is a chemical compound with molecular formula C20H23ClN6O2 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 13117327, F2636-0365, 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione, 8-(4-allylpiperazin-1-yl)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-prop-2-enylpiperazinyl)-1,3,7-trihydr opurine-2,6-dione
| Molecular Formula | C20H23ClN6O2 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 1.433 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.1571 |
| Heavy Atoms | 29 |
| Complexity | 1169.9087 |
Chemical Identifiers
| CAS Number | 887030-32-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC=C)CC4=CC=CC=C4Cl |
Product Overview
BAS 13117327 (CAS 887030-32-2), with molecular formula C20H23ClN6O2 and molecular weight 414.16 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 13117327
Property Insights of BAS 13117327
The XLogP value of 1.433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13117327. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13117327. Following Lipinski's Rule of Five, BAS 13117327 has 1 hydrogen bond donor(s) and 5 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 BAS 13117327?
The CAS number of BAS 13117327 is 887030-32-2.
What is the molecular formula of BAS 13117327?
The molecular formula of BAS 13117327 is C20H23ClN6O2.
What is the molecular weight of BAS 13117327?
The molecular weight of BAS 13117327 is 414.16 g/mol.
Where can I buy BAS 13117327?
You can request a quote for BAS 13117327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13117327?
Yes, KEHONG BIO provides custom synthesis services for BAS 13117327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.