Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-
TL;DR: Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- (CAS 29636-73-5) is a chemical compound with molecular formula C14H14Br2N2O3 and molecular weight 415.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(bromomethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: N,N'-Bis(bromomethyl)phenobarbital, 1,3-Bis(bromomethyl)-5-ethyl-5-phenylbarbituric acid, Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-, 1,3-bis(bromomethyl)-5-ethyl-5-phenylbarbituric, 1,3-Bis(bromomethyl)-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C14H14Br2N2O3 |
|---|---|
| Molecular Weight | 415.94 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.93713 |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 29636-73-5 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CBr)CBr)C2=CC=CC=C2 |
| InChIKey | ODAGYCFGDBXVSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- (CAS 29636-73-5), with molecular formula C14H14Br2N2O3 and molecular weight 415.94 g/mol. IUPAC: 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-
Property Insights of Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-
The XLogP value of 3.3 indicates that Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- has 0 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 Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-?
The CAS number of Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- is 29636-73-5.
What is the molecular formula of Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-?
The molecular formula of Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- is C14H14Br2N2O3.
What is the molecular weight of Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-?
The molecular weight of Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- is 415.94 g/mol.
Where can I buy Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-?
You can request a quote for Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1,3-bis(bromomethyl)-5-ethyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.