Benzylbutylbarbiturate
TL;DR: Benzylbutylbarbiturate (CAS 66941-94-4) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-5-butyl-1,3-diazinane-2,4,6-trione
Also Known As: Benzylbutylbarbiturate, 5-Benzyl-5-butylbarbituric acid, BARBITURIC ACID, 5-BENZYL-5-BUTYL-, 5-BENZYL-5-BUTYL-BARBITURIC ACID, 5-BENZYL-5-N-BUTYLBARBITURIC ACID
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 66941-94-4 |
|---|---|
| SMILES | CCCCC1(C(=O)NC(=O)NC1=O)CC2=CC=CC=C2 |
| InChIKey | XDNQMQVXDKJOET-UHFFFAOYSA-N |
Product Overview
Benzylbutylbarbiturate (CAS 66941-94-4), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: 5-benzyl-5-butyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Benzylbutylbarbiturate
Property Insights of Benzylbutylbarbiturate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylbutylbarbiturate. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylbutylbarbiturate. Following Lipinski's Rule of Five, Benzylbutylbarbiturate has 2 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 Benzylbutylbarbiturate?
The CAS number of Benzylbutylbarbiturate is 66941-94-4.
What is the molecular formula of Benzylbutylbarbiturate?
The molecular formula of Benzylbutylbarbiturate is C15H18N2O3.
What is the molecular weight of Benzylbutylbarbiturate?
The molecular weight of Benzylbutylbarbiturate is 274.13 g/mol.
Where can I buy Benzylbutylbarbiturate?
You can request a quote for Benzylbutylbarbiturate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylbutylbarbiturate?
Yes, KEHONG BIO provides custom synthesis services for Benzylbutylbarbiturate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.