N-Hydroxyaprobarbitone
TL;DR: N-Hydroxyaprobarbitone (CAS 67035-44-3) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: N-Hydroxyaprobarbitone, 1-hydroxy-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 1,3-Bis[(2-methylpiperidin-1-yl)methyl]imidazolidine-2-thione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-hydroxy-5-(1-methylethyl)-5-(2-propenyl)-, (+-)-, 3,6-Dihydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 67035-44-3 |
|---|---|
| SMILES | CC(C)C1(C(=O)NC(=O)N(C1=O)O)CC=C |
| InChIKey | BUNVOVXVKYZBAN-UHFFFAOYSA-N |
Product Overview
N-Hydroxyaprobarbitone (CAS 67035-44-3), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: 1-hydroxy-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of N-Hydroxyaprobarbitone
Property Insights of N-Hydroxyaprobarbitone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Hydroxyaprobarbitone. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Hydroxyaprobarbitone. Following Lipinski's Rule of Five, N-Hydroxyaprobarbitone 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 N-Hydroxyaprobarbitone?
The CAS number of N-Hydroxyaprobarbitone is 67035-44-3.
What is the molecular formula of N-Hydroxyaprobarbitone?
The molecular formula of N-Hydroxyaprobarbitone is C10H14N2O4.
What is the molecular weight of N-Hydroxyaprobarbitone?
The molecular weight of N-Hydroxyaprobarbitone is 226.10 g/mol.
Where can I buy N-Hydroxyaprobarbitone?
You can request a quote for N-Hydroxyaprobarbitone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Hydroxyaprobarbitone?
Yes, KEHONG BIO provides custom synthesis services for N-Hydroxyaprobarbitone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.