Barbituric acid, 5-methyl-5-(2-pyridylmethyl)-
TL;DR: Barbituric acid, 5-methyl-5-(2-pyridylmethyl)- (CAS 99844-46-9) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-5-(pyridin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Picolyl-5-methylbarbituric acid, 5-Methyl-5-(2-pyridylmethyl)barbituric acid, BARBITURIC ACID, 5-METHYL-5-(2-PYRIDYLMETHYL)-, 5-26-06-00339 (Beilstein Handbook Reference), 5-methyl-5-(pyridin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H11N3O3 |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.08005 |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 99844-46-9 |
|---|---|
| SMILES | CC1(C(=O)NC(=O)NC1=O)CC2=CC=CC=N2 |
| InChIKey | JGSIFTCUCCQSER-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-methyl-5-(2-pyridylmethyl)- (CAS 99844-46-9), with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol. IUPAC: 5-methyl-5-(pyridin-2-ylmethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-methyl-5-(2-pyridylmethyl)-
Property Insights of Barbituric acid, 5-methyl-5-(2-pyridylmethyl)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-methyl-5-(2-pyridylmethyl)-. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-methyl-5-(2-pyridylmethyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-methyl-5-(2-pyridylmethyl)- 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, 5-methyl-5-(2-pyridylmethyl)-?
The CAS number of Barbituric acid, 5-methyl-5-(2-pyridylmethyl)- is 99844-46-9.
What is the molecular formula of Barbituric acid, 5-methyl-5-(2-pyridylmethyl)-?
The molecular formula of Barbituric acid, 5-methyl-5-(2-pyridylmethyl)- is C11H11N3O3.
What is the molecular weight of Barbituric acid, 5-methyl-5-(2-pyridylmethyl)-?
The molecular weight of Barbituric acid, 5-methyl-5-(2-pyridylmethyl)- is 233.08 g/mol.
Where can I buy Barbituric acid, 5-methyl-5-(2-pyridylmethyl)-?
You can request a quote for Barbituric acid, 5-methyl-5-(2-pyridylmethyl)- 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-methyl-5-(2-pyridylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-methyl-5-(2-pyridylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.