3'-Hydroxyquinalbarbitone
TL;DR: 3'-Hydroxyquinalbarbitone (CAS 839-21-4) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-hydroxypentan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Hydroxysecobarbital, 3'-Hydroxyquinalbarbitone, Hydroxyquinalbarbitone,3-, J1.465.871H, 5-allyl-5-(3-hydroxy-1-methyl-butyl)-pyrimidine-2,4,6-trione
| Molecular Formula | C12H18N2O4 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.12666 |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 839-21-4 |
|---|---|
| SMILES | CC(CC(C)O)C1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | UDJWOFMFUFEJJY-UHFFFAOYSA-N |
Product Overview
3'-Hydroxyquinalbarbitone (CAS 839-21-4), with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol. IUPAC: 5-(4-hydroxypentan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 3'-Hydroxyquinalbarbitone
Property Insights of 3'-Hydroxyquinalbarbitone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Hydroxyquinalbarbitone. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Hydroxyquinalbarbitone. Following Lipinski's Rule of Five, 3'-Hydroxyquinalbarbitone has 3 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 3'-Hydroxyquinalbarbitone?
The CAS number of 3'-Hydroxyquinalbarbitone is 839-21-4.
What is the molecular formula of 3'-Hydroxyquinalbarbitone?
The molecular formula of 3'-Hydroxyquinalbarbitone is C12H18N2O4.
What is the molecular weight of 3'-Hydroxyquinalbarbitone?
The molecular weight of 3'-Hydroxyquinalbarbitone is 254.13 g/mol.
Where can I buy 3'-Hydroxyquinalbarbitone?
You can request a quote for 3'-Hydroxyquinalbarbitone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Hydroxyquinalbarbitone?
Yes, KEHONG BIO provides custom synthesis services for 3'-Hydroxyquinalbarbitone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.