tert-Butyrophenone, 3',4'-dihydroxy-
TL;DR: tert-Butyrophenone, 3',4'-dihydroxy- (CAS 72017-59-5) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2,2-dimethylpropan-1-one
Also Known As: 3',4'-Dihydroxy-tert-butyrophenone, tert-BUTYROPHENONE, 3',4'-DIHYDROXY-, 1-(3,4-dihydroxyphenyl)-2,2-dimethylpropan-1-one, tert-Butyl(3,4-dihydroxyphenyl) ketone, 1-Propanone, 1-(3,4-dihydroxyphenyl)-2,2-dimethyl-
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 72017-59-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)C1=CC(=C(C=C1)O)O |
| InChIKey | PYYHPJWXMOZDTP-UHFFFAOYSA-N |
Product Overview
tert-Butyrophenone, 3',4'-dihydroxy- (CAS 72017-59-5), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2,2-dimethylpropan-1-one.
Chemical Property Profile of tert-Butyrophenone, 3',4'-dihydroxy-
Property Insights of tert-Butyrophenone, 3',4'-dihydroxy-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyrophenone, 3',4'-dihydroxy-. With a topological polar surface area (TPSA) of 57.5 Ų, tert-Butyrophenone, 3',4'-dihydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyrophenone, 3',4'-dihydroxy- 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 tert-Butyrophenone, 3',4'-dihydroxy-?
The CAS number of tert-Butyrophenone, 3',4'-dihydroxy- is 72017-59-5.
What is the molecular formula of tert-Butyrophenone, 3',4'-dihydroxy-?
The molecular formula of tert-Butyrophenone, 3',4'-dihydroxy- is C11H14O3.
What is the molecular weight of tert-Butyrophenone, 3',4'-dihydroxy-?
The molecular weight of tert-Butyrophenone, 3',4'-dihydroxy- is 194.09 g/mol.
Where can I buy tert-Butyrophenone, 3',4'-dihydroxy-?
You can request a quote for tert-Butyrophenone, 3',4'-dihydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyrophenone, 3',4'-dihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyrophenone, 3',4'-dihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.