Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl-
TL;DR: Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl- (CAS 30478-70-7) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-(2-oxopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-Dimethyl-5-allyl-5-acetonylbarbituric acid, BARBITURIC ACID, 5-ACETONYL-5-ALLYL-1,3-DIMETHYL-, 5-24-09-00419 (Beilstein Handbook Reference), Kwas 1,3-dwumetylo-5-allilo-5-acetonylo barbiturowy, Kwas 1,3-dwumetylo-5-allilo-5-acetonylo barbiturowy [Polish]
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 30478-70-7 |
|---|---|
| SMILES | CC(=O)CC1(C(=O)N(C(=O)N(C1=O)C)C)CC=C |
| InChIKey | AEAVYMBLNMJGGD-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl- (CAS 30478-70-7), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: 1,3-dimethyl-5-(2-oxopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl-
Property Insights of Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl-
The XLogP value of -0.2 indicates that Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl- has 0 hydrogen bond donor(s) and 4 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-acetonyl-5-allyl-1,3-dimethyl-?
The CAS number of Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl- is 30478-70-7.
What is the molecular formula of Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl-?
The molecular formula of Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl- is C12H16N2O4.
What is the molecular weight of Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl-?
The molecular weight of Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl- is 252.11 g/mol.
Where can I buy Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl-?
You can request a quote for Barbituric acid, 5-acetonyl-5-allyl-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-acetonyl-5-allyl-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-acetonyl-5-allyl-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.