3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one
TL;DR: 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one (CAS 332861-64-0) is a chemical compound with molecular formula C18H25NO2 and molecular weight 287.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-3-(3-methylbutylamino)cyclohex-2-en-1-one
Also Known As: 3-(isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one, BAS 01849626, 5-(4-Methoxy-phenyl)-3-(3-methyl-butylamino)-cyclohex-2-enone, 5-(4-methoxyphenyl)-3-(3-methylbutylamino)cyclohex-2-en-1-one, 5-(4-methoxyphenyl)-3-[(3-methylbutyl)amino]cyclohex-2-en-1-one
| Molecular Formula | C18H25NO2 |
|---|---|
| Molecular Weight | 287.19 g/mol |
| LogP | 3.6613 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.18854 |
| Heavy Atoms | 21 |
| Complexity | 502.45453 |
Chemical Identifiers
| CAS Number | 332861-64-0 |
|---|---|
| SMILES | CC(C)CCNC1=CC(=O)CC(C1)C2=CC=C(C=C2)OC |
Product Overview
3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one (CAS 332861-64-0), with molecular formula C18H25NO2 and molecular weight 287.19 g/mol. IUPAC: 5-(4-methoxyphenyl)-3-(3-methylbutylamino)cyclohex-2-en-1-one.
Chemical Property Profile of 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one
Property Insights of 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one
The XLogP value of 3.6613 indicates that 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one has 1 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 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one?
The CAS number of 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one is 332861-64-0.
What is the molecular formula of 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one?
The molecular formula of 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one is C18H25NO2.
What is the molecular weight of 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one?
The molecular weight of 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one is 287.19 g/mol.
Where can I buy 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one?
You can request a quote for 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.