BAS 10853938
TL;DR: BAS 10853938 (CAS 851939-35-0) is a chemical compound with molecular formula C21H26FN5O2 and molecular weight 399.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione
Also Known As: BAS 10853938, UPCMLD0ENAT5783578:001, 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione, 7-(2-fluorobenzyl)-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H26FN5O2 |
|---|---|
| Molecular Weight | 399.21 g/mol |
| LogP | 1.9955 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.20706 |
| Heavy Atoms | 29 |
| Complexity | 1176.2538 |
Chemical Identifiers
| CAS Number | 851939-35-0 |
|---|---|
| SMILES | CC1CCCCN1CC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C |
Product Overview
BAS 10853938 (CAS 851939-35-0), with molecular formula C21H26FN5O2 and molecular weight 399.21 g/mol. IUPAC: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 10853938
Property Insights of BAS 10853938
The XLogP value of 1.9955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10853938. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10853938. Following Lipinski's Rule of Five, BAS 10853938 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 10853938?
The CAS number of BAS 10853938 is 851939-35-0.
What is the molecular formula of BAS 10853938?
The molecular formula of BAS 10853938 is C21H26FN5O2.
What is the molecular weight of BAS 10853938?
The molecular weight of BAS 10853938 is 399.21 g/mol.
Where can I buy BAS 10853938?
You can request a quote for BAS 10853938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10853938?
Yes, KEHONG BIO provides custom synthesis services for BAS 10853938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.