BAS 11174334
TL;DR: BAS 11174334 (CAS 851937-89-8) 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-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione
Also Known As: BAS 11174334, UPCMLD0ENAT5788626:001, F0634-0124, 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione, 7-(4-fluorobenzyl)-1,3-dimethyl-8-((3-methylpiperidin-1-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H26FN5O2 |
|---|---|
| Molecular Weight | 399.21 g/mol |
| LogP | 1.853 |
| 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 | 1159.0038 |
Chemical Identifiers
| CAS Number | 851937-89-8 |
|---|---|
| SMILES | CC1CCCN(C1)CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C |
Product Overview
BAS 11174334 (CAS 851937-89-8), with molecular formula C21H26FN5O2 and molecular weight 399.21 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 11174334
Property Insights of BAS 11174334
The XLogP value of 1.853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11174334. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11174334. Following Lipinski's Rule of Five, BAS 11174334 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 11174334?
The CAS number of BAS 11174334 is 851937-89-8.
What is the molecular formula of BAS 11174334?
The molecular formula of BAS 11174334 is C21H26FN5O2.
What is the molecular weight of BAS 11174334?
The molecular weight of BAS 11174334 is 399.21 g/mol.
Where can I buy BAS 11174334?
You can request a quote for BAS 11174334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11174334?
Yes, KEHONG BIO provides custom synthesis services for BAS 11174334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.