5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one
TL;DR: 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one (CAS 946385-89-3) is a chemical compound with molecular formula C13H19NO and molecular weight 205.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one
Also Known As: 5-(2-methylpropyl)-3-[(prop-2-yn-1-yl)amino]cyclohex-2-en-1-one, 5-(2-methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one, 5-isobutyl-3-(2-propynylamino)-2-cyclohexen-1-one, 5-isobutyl-3-(prop-2-ynylamino)cyclohex-2-en-1-one, 2-Cyclohexen-1-one, 5-(2-methylpropyl)-3-(2-propyn-1-ylamino)
| Molecular Formula | C13H19NO |
|---|---|
| Molecular Weight | 205.15 g/mol |
| LogP | 2.1183 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.14667 |
| Heavy Atoms | 15 |
| Complexity | 296.14804 |
Chemical Identifiers
| CAS Number | 946385-89-3 |
|---|---|
| SMILES | CC(C)CC1CC(=CC(=O)C1)NCC#C |
Product Overview
5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one (CAS 946385-89-3), with molecular formula C13H19NO and molecular weight 205.15 g/mol. IUPAC: 5-(2-methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one.
Chemical Property Profile of 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one
Property Insights of 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one
The XLogP value of 2.1183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one 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 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one?
The CAS number of 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one is 946385-89-3.
What is the molecular formula of 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one?
The molecular formula of 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one is C13H19NO.
What is the molecular weight of 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one?
The molecular weight of 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one is 205.15 g/mol.
Where can I buy 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one?
You can request a quote for 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Methylpropyl)-3-(prop-2-ynylamino)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.