Barbituric acid, 1-carbamoylmethyl-5,5-diallyl-
TL;DR: Barbituric acid, 1-carbamoylmethyl-5,5-diallyl- (CAS 67050-82-2) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetamide
Also Known As: 1-Carbamoylmethyl-5,5-diallylbarbituric acid, BARBITURIC ACID, 1-CARBAMOYLMETHYL-5,5-DIALLYL-, 5-24-09-00250 (Beilstein Handbook Reference), 2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetamide, 1-Carbamoylmethyl-5,5-diallyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 67050-82-2 |
|---|---|
| SMILES | C=CCC1(C(=O)NC(=O)N(C1=O)CC(=O)N)CC=C |
| InChIKey | ODDVXSNDJWGLRL-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1-carbamoylmethyl-5,5-diallyl- (CAS 67050-82-2), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: 2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetamide.
Chemical Property Profile of Barbituric acid, 1-carbamoylmethyl-5,5-diallyl-
Property Insights of Barbituric acid, 1-carbamoylmethyl-5,5-diallyl-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1-carbamoylmethyl-5,5-diallyl-. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-carbamoylmethyl-5,5-diallyl-. Following Lipinski's Rule of Five, Barbituric acid, 1-carbamoylmethyl-5,5-diallyl- has 2 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, 1-carbamoylmethyl-5,5-diallyl-?
The CAS number of Barbituric acid, 1-carbamoylmethyl-5,5-diallyl- is 67050-82-2.
What is the molecular formula of Barbituric acid, 1-carbamoylmethyl-5,5-diallyl-?
The molecular formula of Barbituric acid, 1-carbamoylmethyl-5,5-diallyl- is C12H15N3O4.
What is the molecular weight of Barbituric acid, 1-carbamoylmethyl-5,5-diallyl-?
The molecular weight of Barbituric acid, 1-carbamoylmethyl-5,5-diallyl- is 265.11 g/mol.
Where can I buy Barbituric acid, 1-carbamoylmethyl-5,5-diallyl-?
You can request a quote for Barbituric acid, 1-carbamoylmethyl-5,5-diallyl- 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-carbamoylmethyl-5,5-diallyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-carbamoylmethyl-5,5-diallyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.