Benzobamil
TL;DR: Benzobamil (CAS 94407-91-7) is a chemical compound with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyl-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Also Known As: Benzobamil, Benzamyl, 3-Benzoyl-5-ethyl-5-isoamylbarbituric acid, 5-ethyl-5-isopentyl-3-benzoylbarbituric acid, 1-benzoyl-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H22N2O4 |
|---|---|
| Molecular Weight | 330.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.15796 |
| Heavy Atoms | 24 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 94407-91-7 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC=CC=C2)CCC(C)C |
| InChIKey | XHTUOWXUBNMVEU-UHFFFAOYSA-N |
Product Overview
Benzobamil (CAS 94407-91-7), with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol. IUPAC: 1-benzoyl-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Benzobamil
Property Insights of Benzobamil
The XLogP value of 3.9 indicates that Benzobamil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzobamil. Following Lipinski's Rule of Five, Benzobamil has 1 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 Benzobamil?
The CAS number of Benzobamil is 94407-91-7.
What is the molecular formula of Benzobamil?
The molecular formula of Benzobamil is C18H22N2O4.
What is the molecular weight of Benzobamil?
The molecular weight of Benzobamil is 330.16 g/mol.
Where can I buy Benzobamil?
You can request a quote for Benzobamil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzobamil?
Yes, KEHONG BIO provides custom synthesis services for Benzobamil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.