BAS 10853960
TL;DR: BAS 10853960 (CAS 851939-97-4) is a chemical compound with molecular formula C21H26ClN5O2 and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione
Also Known As: BAS 10853960, F0634-0386, 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione, 7-(3-chlorobenzyl)-1,3-dimethyl-8-((2-methylpiperidin-1-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-CHLOROPHENYL)METHYL]-1,3-DIMETHYL-8-[(2-METHYLPIPERIDIN-1-YL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C21H26ClN5O2 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 2.5098 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.1775 |
| Heavy Atoms | 29 |
| Complexity | 1176.2538 |
Chemical Identifiers
| CAS Number | 851939-97-4 |
|---|---|
| SMILES | CC1CCCCN1CC2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(C(=O)N3C)C |
Product Overview
BAS 10853960 (CAS 851939-97-4), with molecular formula C21H26ClN5O2 and molecular weight 415.18 g/mol. IUPAC: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 10853960
Property Insights of BAS 10853960
The XLogP value of 2.5098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10853960. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10853960. Following Lipinski's Rule of Five, BAS 10853960 has 0 hydrogen bond donor(s) and 4 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 10853960?
The CAS number of BAS 10853960 is 851939-97-4.
What is the molecular formula of BAS 10853960?
The molecular formula of BAS 10853960 is C21H26ClN5O2.
What is the molecular weight of BAS 10853960?
The molecular weight of BAS 10853960 is 415.18 g/mol.
Where can I buy BAS 10853960?
You can request a quote for BAS 10853960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10853960?
Yes, KEHONG BIO provides custom synthesis services for BAS 10853960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.