Barbituric acid, 5-sec-butyl-1,3-dimethyl-
TL;DR: Barbituric acid, 5-sec-butyl-1,3-dimethyl- (CAS 7391-63-1) is a chemical compound with molecular formula C10H16N2O3 and molecular weight 212.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: Barbituric acid,3-dimethyl-, 5-sec-Butyl-1,3-dimethylbarbituric acid, BARBITURIC ACID, 5-sec-BUTYL-1,3-DIMETHYL-, 1,3-Dimethyl-5-sec-butylbarbituric acid, 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C10H16N2O3 |
|---|---|
| Molecular Weight | 212.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.11609 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 7391-63-1 |
|---|---|
| SMILES | CCC(C)C1C(=O)N(C(=O)N(C1=O)C)C |
| InChIKey | LXEIFFQUCUFHQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barbituric acid, 5-sec-butyl-1,3-dimethyl- (CAS 7391-63-1), with molecular formula C10H16N2O3 and molecular weight 212.12 g/mol. IUPAC: 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-sec-butyl-1,3-dimethyl-
Property Insights of Barbituric acid, 5-sec-butyl-1,3-dimethyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-sec-butyl-1,3-dimethyl-. With a topological polar surface area (TPSA) of 57.7 Ų, Barbituric acid, 5-sec-butyl-1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 5-sec-butyl-1,3-dimethyl- 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-sec-butyl-1,3-dimethyl-?
The CAS number of Barbituric acid, 5-sec-butyl-1,3-dimethyl- is 7391-63-1.
What is the molecular formula of Barbituric acid, 5-sec-butyl-1,3-dimethyl-?
The molecular formula of Barbituric acid, 5-sec-butyl-1,3-dimethyl- is C10H16N2O3.
What is the molecular weight of Barbituric acid, 5-sec-butyl-1,3-dimethyl-?
The molecular weight of Barbituric acid, 5-sec-butyl-1,3-dimethyl- is 212.12 g/mol.
Where can I buy Barbituric acid, 5-sec-butyl-1,3-dimethyl-?
You can request a quote for Barbituric acid, 5-sec-butyl-1,3-dimethyl- 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-sec-butyl-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-sec-butyl-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.