Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-
TL;DR: Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)- (CAS 28239-49-8) is a chemical compound with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: N,N-Dimethylquinalbarbitone, Secobarbital, (bis-Me), Secobarbital permethylated, 1,3-Dimethylsecobarbital, Secobarbital, 1,3-dimethyl
| Molecular Formula | C14H22N2O3 |
|---|---|
| Molecular Weight | 266.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.16306 |
| Heavy Atoms | 19 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 28239-49-8 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)N(C(=O)N(C1=O)C)C)CC=C |
| InChIKey | KKPCLTFASPTTIQ-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)- (CAS 28239-49-8), with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol. IUPAC: 1,3-dimethyl-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-
Property Insights of Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-. With a topological polar surface area (TPSA) of 57.7 Ų, Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)- 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, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-?
The CAS number of Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)- is 28239-49-8.
What is the molecular formula of Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-?
The molecular formula of Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)- is C14H22N2O3.
What is the molecular weight of Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-?
The molecular weight of Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)- is 266.16 g/mol.
Where can I buy Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-?
You can request a quote for Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.