BAS 13117134
TL;DR: BAS 13117134 (CAS 878430-77-4) is a chemical compound with molecular formula C21H24ClFN6O2 and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: BAS 13117134, UPCMLD0ENAT5825105:001, 8-(4-(2-chloro-6-fluorobenzyl)piperazin-1-yl)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione, AB00680176-01, AB00680176-02
| Molecular Formula | C21H24ClFN6O2 |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 2.1141 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.16333 |
| Heavy Atoms | 31 |
| Complexity | 1249.0862 |
Chemical Identifiers
| CAS Number | 878430-77-4 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1N3CCN(CC3)CC4=C(C=CC=C4Cl)F)N(C(=O)NC2=O)C |
Product Overview
BAS 13117134 (CAS 878430-77-4), with molecular formula C21H24ClFN6O2 and molecular weight 446.16 g/mol. IUPAC: 8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of BAS 13117134
Property Insights of BAS 13117134
The XLogP value of 2.1141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13117134. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13117134. Following Lipinski's Rule of Five, BAS 13117134 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 13117134?
The CAS number of BAS 13117134 is 878430-77-4.
What is the molecular formula of BAS 13117134?
The molecular formula of BAS 13117134 is C21H24ClFN6O2.
What is the molecular weight of BAS 13117134?
The molecular weight of BAS 13117134 is 446.16 g/mol.
Where can I buy BAS 13117134?
You can request a quote for BAS 13117134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13117134?
Yes, KEHONG BIO provides custom synthesis services for BAS 13117134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.