Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-
TL;DR: Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)- (CAS 20195-20-4) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone
Also Known As: 3',4'-Dihydroxy-2-(hexahydro-1H-azepin-1-yl)acetophenone, 4-20-00-01423 (Beilstein Handbook Reference), ACETOPHENONE, 3',4'-DIHYDROXY-2-(HEXAHYDRO-1H-AZEPIN-1-YL)-, 2-(azepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone, Ethanone, 1-(3,4-dihydroxyphenyl)-2-(hexahydro-1H-azepin-1-yl)-
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 20195-20-4 |
|---|---|
| SMILES | C1CCCN(CC1)CC(=O)C2=CC(=C(C=C2)O)O |
| InChIKey | HXEXAVBFVYCOOG-UHFFFAOYSA-N |
Product Overview
Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)- (CAS 20195-20-4), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: 2-(azepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-
Property Insights of Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-. Following Lipinski's Rule of Five, Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)- 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-(hexahydro-1H-azepin-1-yl)-?
The CAS number of Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)- is 20195-20-4.
What is the molecular formula of Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-?
The molecular formula of Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)- is C14H19NO3.
What is the molecular weight of Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-?
The molecular weight of Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)- is 249.14 g/mol.
Where can I buy Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-?
You can request a quote for Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)- 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-(hexahydro-1H-azepin-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.