1-(4-Hydroxyphenyl)-1,4-pentanedione
TL;DR: 1-(4-Hydroxyphenyl)-1,4-pentanedione (CAS 195137-46-3) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxyphenyl)pentane-1,4-dione
Also Known As: 1-(4-hydroxyphenyl)pentane-1,4-dione, 1-(4-hydroxyphenyl)-1,4-pentanedione, InChI=1/C11H12O3/c1-8(12)2-7-11(14)9-3-5-10(13)6-4-9/h3-6,13H,2,7H2,1H
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.9441 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 338.0552 |
Chemical Identifiers
| CAS Number | 195137-46-3 |
|---|---|
| SMILES | CC(=O)CCC(=O)C1=CC=C(C=C1)O |
Product Overview
1-(4-Hydroxyphenyl)-1,4-pentanedione (CAS 195137-46-3), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 1-(4-hydroxyphenyl)pentane-1,4-dione.
Chemical Property Profile of 1-(4-Hydroxyphenyl)-1,4-pentanedione
Property Insights of 1-(4-Hydroxyphenyl)-1,4-pentanedione
The XLogP value of 1.9441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Hydroxyphenyl)-1,4-pentanedione. With a topological polar surface area (TPSA) of 54.37 Ų, 1-(4-Hydroxyphenyl)-1,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Hydroxyphenyl)-1,4-pentanedione has 1 hydrogen bond donor(s) and 3 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 1-(4-Hydroxyphenyl)-1,4-pentanedione?
The CAS number of 1-(4-Hydroxyphenyl)-1,4-pentanedione is 195137-46-3.
What is the molecular formula of 1-(4-Hydroxyphenyl)-1,4-pentanedione?
The molecular formula of 1-(4-Hydroxyphenyl)-1,4-pentanedione is C11H12O3.
What is the molecular weight of 1-(4-Hydroxyphenyl)-1,4-pentanedione?
The molecular weight of 1-(4-Hydroxyphenyl)-1,4-pentanedione is 192.08 g/mol.
Where can I buy 1-(4-Hydroxyphenyl)-1,4-pentanedione?
You can request a quote for 1-(4-Hydroxyphenyl)-1,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Hydroxyphenyl)-1,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxyphenyl)-1,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.