1-(3-HYDROXY-4-NITROPHENYL)ETHANONE
TL;DR: 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE (CAS 130260-18-3) is a chemical compound with molecular formula C19H30Cl2N2O and molecular weight 372.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-piperidin-1-ylethoxy)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;dihydrochloride
Also Known As: 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE, 1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-(2-(1-piperidinyl)ethoxy)-, dihydrochloride, 2,3,6,7-Tetrahydro-9-(2-(1-piperidinyl)ethoxy)-1H,5H-benzo(ij)quinolizine dihydrochloride, Butanoic acid,2,4,4-trichloro-4-cyano-,methyl ester, 1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-(2-(1-piperidinyl)eth oxy)-, dihydrochloride
| Molecular Formula | C19H30Cl2N2O |
|---|---|
| Molecular Weight | 372.17 g/mol |
| LogP | 4.0937 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.17352 |
| Heavy Atoms | 24 |
| Complexity | 501.09323 |
Chemical Identifiers
| CAS Number | 130260-18-3 |
|---|---|
| SMILES | C1CCN(CC1)CCOC2=CC3=C4C(=C2)CCCN4CCC3.Cl.Cl |
Product Overview
1-(3-HYDROXY-4-NITROPHENYL)ETHANONE (CAS 130260-18-3), with molecular formula C19H30Cl2N2O and molecular weight 372.17 g/mol. IUPAC: 7-(2-piperidin-1-ylethoxy)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;dihydrochloride.
Chemical Property Profile of 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE
Property Insights of 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE
The XLogP value of 4.0937 indicates that 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.71 Ų, 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE has 0 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 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE?
The CAS number of 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE is 130260-18-3.
What is the molecular formula of 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE?
The molecular formula of 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE is C19H30Cl2N2O.
What is the molecular weight of 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE?
The molecular weight of 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE is 372.17 g/mol.
Where can I buy 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE?
You can request a quote for 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.