3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime
TL;DR: 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime (CAS 454473-86-0) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-hydroxyimino-2-(N-hydroxy-C-methylcarbonimidoyl)butyl]phenol
Also Known As: 3-(4-hydroxybenzyl)-2,4-pentanedione dioxime, 4-[3-(hydroxyimino)-2-[1-(hydroxyimino)ethyl]butyl]phenol, 4-[3-hydroxyimino-2-(N-hydroxy-C-methylcarbonimidoyl)butyl]phenol
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.2511 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 405.8818 |
Chemical Identifiers
| CAS Number | 454473-86-0 |
|---|---|
| SMILES | CC(=NO)C(CC1=CC=C(C=C1)O)C(=NO)C |
Product Overview
3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime (CAS 454473-86-0), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 4-[3-hydroxyimino-2-(N-hydroxy-C-methylcarbonimidoyl)butyl]phenol.
Chemical Property Profile of 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime
Property Insights of 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime
The XLogP value of 2.2511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime. Following Lipinski's Rule of Five, 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime has 3 hydrogen bond donor(s) and 5 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-(4-Hydroxybenzyl)-2,4-pentanedione dioxime?
The CAS number of 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime is 454473-86-0.
What is the molecular formula of 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime?
The molecular formula of 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime is C12H16N2O3.
What is the molecular weight of 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime?
The molecular weight of 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime is 236.12 g/mol.
Where can I buy 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime?
You can request a quote for 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxybenzyl)-2,4-pentanedione dioxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.