3,4-Bis(p-hydroxyphenyl)-2-hexanone
TL;DR: 3,4-Bis(p-hydroxyphenyl)-2-hexanone (CAS 101564-54-9) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(4-hydroxyphenyl)hexan-2-one
Also Known As: 3,4-Bis(p-hydroxyphenyl)-2-hexanone, 3,4-bis(4-hydroxyphenyl)hexan-2-one, 3,4-Bis(4-hydroxyphenyl)-2-hexanone, 2-HEXANONE, 3,4-BIS(p-HYDROXYPHENYL)-, 3,4-bis-(4-hydroxyphenyl)-hexan-2-one
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 101564-54-9 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)O)C(C2=CC=C(C=C2)O)C(=O)C |
| InChIKey | HNQLJUUKIAVRLQ-UHFFFAOYSA-N |
Product Overview
3,4-Bis(p-hydroxyphenyl)-2-hexanone (CAS 101564-54-9), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: 3,4-bis(4-hydroxyphenyl)hexan-2-one.
Chemical Property Profile of 3,4-Bis(p-hydroxyphenyl)-2-hexanone
Property Insights of 3,4-Bis(p-hydroxyphenyl)-2-hexanone
The XLogP value of 3.7 indicates that 3,4-Bis(p-hydroxyphenyl)-2-hexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3,4-Bis(p-hydroxyphenyl)-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Bis(p-hydroxyphenyl)-2-hexanone has 2 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 3,4-Bis(p-hydroxyphenyl)-2-hexanone?
The CAS number of 3,4-Bis(p-hydroxyphenyl)-2-hexanone is 101564-54-9.
What is the molecular formula of 3,4-Bis(p-hydroxyphenyl)-2-hexanone?
The molecular formula of 3,4-Bis(p-hydroxyphenyl)-2-hexanone is C18H20O3.
What is the molecular weight of 3,4-Bis(p-hydroxyphenyl)-2-hexanone?
The molecular weight of 3,4-Bis(p-hydroxyphenyl)-2-hexanone is 284.14 g/mol.
Where can I buy 3,4-Bis(p-hydroxyphenyl)-2-hexanone?
You can request a quote for 3,4-Bis(p-hydroxyphenyl)-2-hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Bis(p-hydroxyphenyl)-2-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(p-hydroxyphenyl)-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.