BAS 13116986
TL;DR: BAS 13116986 (CAS 887030-06-0) is a chemical compound with molecular formula C20H24ClFN6O2 and molecular weight 434.16 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-propylpurine-2,6-dione
Also Known As: BAS 13116986, AB01300732-01, F2636-0029, 8-(4-(2-chloro-6-fluorobenzyl)piperazin-1-yl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione, 8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-propylpurine-2,6-dione
| Molecular Formula | C20H24ClFN6O2 |
|---|---|
| Molecular Weight | 434.16 g/mol |
| LogP | 1.948 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.16333 |
| Heavy Atoms | 30 |
| Complexity | 1172.2004 |
Chemical Identifiers
| CAS Number | 887030-06-0 |
|---|---|
| SMILES | CCCN1C2=C(N=C1N3CCN(CC3)CC4=C(C=CC=C4Cl)F)N(C(=O)NC2=O)C |
Product Overview
BAS 13116986 (CAS 887030-06-0), with molecular formula C20H24ClFN6O2 and molecular weight 434.16 g/mol. IUPAC: 8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-propylpurine-2,6-dione.
Chemical Property Profile of BAS 13116986
Property Insights of BAS 13116986
The XLogP value of 1.948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13116986. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13116986. Following Lipinski's Rule of Five, BAS 13116986 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 13116986?
The CAS number of BAS 13116986 is 887030-06-0.
What is the molecular formula of BAS 13116986?
The molecular formula of BAS 13116986 is C20H24ClFN6O2.
What is the molecular weight of BAS 13116986?
The molecular weight of BAS 13116986 is 434.16 g/mol.
Where can I buy BAS 13116986?
You can request a quote for BAS 13116986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13116986?
Yes, KEHONG BIO provides custom synthesis services for BAS 13116986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.