4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione
TL;DR: 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione (CAS 163405-36-5) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-3,5-diene-1,2-dione
Also Known As: Bisphenol-O-quinone, 4,5-Bisphenol-o-quinone, BPAquinone, BPA quinone, Bisphenol o-quinone
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 163405-36-5 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)O)C2=CC(=O)C(=O)C=C2 |
| InChIKey | NZZDOSANPOZUPK-UHFFFAOYSA-N |
Product Overview
4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione (CAS 163405-36-5), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: 4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione
Property Insights of 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione 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 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione?
The CAS number of 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione is 163405-36-5.
What is the molecular formula of 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione?
The molecular formula of 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione is C15H14O3.
What is the molecular weight of 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione?
The molecular weight of 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione is 242.09 g/mol.
Where can I buy 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione?
You can request a quote for 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-(4-Hydroxyphenyl)-1-methylethyl)-3,5-cyclohexadiene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.