1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione
TL;DR: 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione (CAS 696617-74-0) is a chemical compound with molecular formula C17H13BrN2O2 and molecular weight 356.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzhydryl-5-bromopyrimidine-2,4-dione
Also Known As: 1-benzhydryl-5-bromopyrimidine-2,4-dione, 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione, J2.134.902J, 5-bromo-1-(diphenylmethyl)pyrimidine-2,4(1H,3H)-dione, 5-Bromo-1-benzhydrylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C17H13BrN2O2 |
|---|---|
| Molecular Weight | 356.02 g/mol |
| LogP | 2.9368 |
| Topological Polar Surface Area | 54.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.01605 |
| Heavy Atoms | 22 |
| Complexity | 846.28253 |
Chemical Identifiers
| CAS Number | 696617-74-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C(=O)NC3=O)Br |
Product Overview
1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione (CAS 696617-74-0), with molecular formula C17H13BrN2O2 and molecular weight 356.02 g/mol. IUPAC: 1-benzhydryl-5-bromopyrimidine-2,4-dione.
Chemical Property Profile of 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione
Property Insights of 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.9368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 54.86 Ų, 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione has 1 hydrogen bond donor(s) and 2 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-bromopyrimidine-2,4(1H,3H)-dione?
The CAS number of 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione is 696617-74-0.
What is the molecular formula of 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione is C17H13BrN2O2.
What is the molecular weight of 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione is 356.02 g/mol.
Where can I buy 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-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-bromopyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzhydryl-5-bromopyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.