Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-
TL;DR: Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)- (CAS 16899-82-4) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-ylethanone
Also Known As: 1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-ylethanone, 3',4'-Dihydroxy-2-(1-pyrrolidinyl)acetophenone, 1-(3,4-Dihydroxyphenyl)-2-(1-pyrrolidinyl)ethanone, 4-20-00-00184 (Beilstein Handbook Reference), ACETOPHENONE, 3',4'-DIHYDROXY-2-(1-PYRROLIDINYL)-
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 16899-82-4 |
|---|---|
| SMILES | C1CCN(C1)CC(=O)C2=CC(=C(C=C2)O)O |
| InChIKey | KSZQAZXCZAHBPB-UHFFFAOYSA-N |
Product Overview
Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)- (CAS 16899-82-4), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-ylethanone.
Chemical Property Profile of Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-
Property Insights of Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-. Following Lipinski's Rule of Five, Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)- has 2 hydrogen bond donor(s) and 4 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 Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-?
The CAS number of Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)- is 16899-82-4.
What is the molecular formula of Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-?
The molecular formula of Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)- is C12H15NO3.
What is the molecular weight of Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-?
The molecular weight of Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)- is 221.11 g/mol.
Where can I buy Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-?
You can request a quote for Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.