1-Benzhydryl-5-fluoropyrimidine-2,4-dione
TL;DR: 1-Benzhydryl-5-fluoropyrimidine-2,4-dione (CAS 68321-45-9) is a chemical compound with molecular formula C17H13FN2O2 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzhydryl-5-fluoropyrimidine-2,4-dione
Also Known As: 1-benzhydryl-5-fluoropyrimidine-2,4-dione, J2.134.905D, 5-Fluoro-1-benzhydrylpyrimidine-2,4(1H,3H)-dione, 1-(Diphenylmethyl)-5-fluoropyrimidine-2,4(1H,3H)-dione, 2,4(1H,3H)-PYRIMIDINEDIONE,1-(DIPHENYLMETHYL)-5-FLUORO-
| Molecular Formula | C17H13FN2O2 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0961 |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 68321-45-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C(=O)NC3=O)F |
| InChIKey | XTAOOKSIHMFYDD-UHFFFAOYSA-N |
Product Overview
1-Benzhydryl-5-fluoropyrimidine-2,4-dione (CAS 68321-45-9), with molecular formula C17H13FN2O2 and molecular weight 296.10 g/mol. IUPAC: 1-benzhydryl-5-fluoropyrimidine-2,4-dione.
Chemical Property Profile of 1-Benzhydryl-5-fluoropyrimidine-2,4-dione
Property Insights of 1-Benzhydryl-5-fluoropyrimidine-2,4-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzhydryl-5-fluoropyrimidine-2,4-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-Benzhydryl-5-fluoropyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzhydryl-5-fluoropyrimidine-2,4-dione has 1 hydrogen bond donor(s) and 3 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 1-Benzhydryl-5-fluoropyrimidine-2,4-dione?
The CAS number of 1-Benzhydryl-5-fluoropyrimidine-2,4-dione is 68321-45-9.
What is the molecular formula of 1-Benzhydryl-5-fluoropyrimidine-2,4-dione?
The molecular formula of 1-Benzhydryl-5-fluoropyrimidine-2,4-dione is C17H13FN2O2.
What is the molecular weight of 1-Benzhydryl-5-fluoropyrimidine-2,4-dione?
The molecular weight of 1-Benzhydryl-5-fluoropyrimidine-2,4-dione is 296.10 g/mol.
Where can I buy 1-Benzhydryl-5-fluoropyrimidine-2,4-dione?
You can request a quote for 1-Benzhydryl-5-fluoropyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzhydryl-5-fluoropyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzhydryl-5-fluoropyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.