1-(4-Aminophenyl)-1-hexanone
TL;DR: 1-(4-Aminophenyl)-1-hexanone (CAS 38237-76-2) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminophenyl)hexan-1-one
Also Known As: 4'-Aminohexanophenone, 4-Aminohexanoylphenone, p-Hexanoylaniline, 1-(4-aminophenyl)hexan-1-one, p-Amino caprophenone
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 38237-76-2 |
|---|---|
| SMILES | CCCCCC(=O)C1=CC=C(C=C1)N |
| InChIKey | YDQJFPLRVSPPGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Aminophenyl)-1-hexanone (CAS 38237-76-2), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 1-(4-aminophenyl)hexan-1-one.
Chemical Property Profile of 1-(4-Aminophenyl)-1-hexanone
Property Insights of 1-(4-Aminophenyl)-1-hexanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Aminophenyl)-1-hexanone. With a topological polar surface area (TPSA) of 43.1 Ų, 1-(4-Aminophenyl)-1-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Aminophenyl)-1-hexanone has 1 hydrogen bond donor(s) and 2 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-(4-Aminophenyl)-1-hexanone?
The CAS number of 1-(4-Aminophenyl)-1-hexanone is 38237-76-2.
What is the molecular formula of 1-(4-Aminophenyl)-1-hexanone?
The molecular formula of 1-(4-Aminophenyl)-1-hexanone is C12H17NO.
What is the molecular weight of 1-(4-Aminophenyl)-1-hexanone?
The molecular weight of 1-(4-Aminophenyl)-1-hexanone is 191.13 g/mol.
Where can I buy 1-(4-Aminophenyl)-1-hexanone?
You can request a quote for 1-(4-Aminophenyl)-1-hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Aminophenyl)-1-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Aminophenyl)-1-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.