4'-Hydroxymethohexital
TL;DR: 4'-Hydroxymethohexital (CAS 80832-89-9) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-hydroxyhex-3-yn-2-yl)-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 4'-Hydroxymethohexital, 4'-Hydroxymethohexitone, 5-(5-hydroxyhex-3-yn-2-yl)-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(4-hydroxy-1-methyl-2-pentynyl)-1-methyl-5-(2-propenyl)-, 6-Hydroxy-5-(5-hydroxyhex-3-yn-2-yl)-3-methyl-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C14H18N2O4 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.12665 |
| Heavy Atoms | 20 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 80832-89-9 |
|---|---|
| SMILES | CC(C#CC(C)O)C1(C(=O)NC(=O)N(C1=O)C)CC=C |
| InChIKey | MTMBJMKMFXBBIP-UHFFFAOYSA-N |
Product Overview
4'-Hydroxymethohexital (CAS 80832-89-9), with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol. IUPAC: 5-(5-hydroxyhex-3-yn-2-yl)-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 4'-Hydroxymethohexital
Property Insights of 4'-Hydroxymethohexital
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Hydroxymethohexital. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Hydroxymethohexital. Following Lipinski's Rule of Five, 4'-Hydroxymethohexital 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 4'-Hydroxymethohexital?
The CAS number of 4'-Hydroxymethohexital is 80832-89-9.
What is the molecular formula of 4'-Hydroxymethohexital?
The molecular formula of 4'-Hydroxymethohexital is C14H18N2O4.
What is the molecular weight of 4'-Hydroxymethohexital?
The molecular weight of 4'-Hydroxymethohexital is 278.13 g/mol.
Where can I buy 4'-Hydroxymethohexital?
You can request a quote for 4'-Hydroxymethohexital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Hydroxymethohexital?
Yes, KEHONG BIO provides custom synthesis services for 4'-Hydroxymethohexital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.