4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one
TL;DR: 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one (CAS 53391-62-1) is a chemical compound with molecular formula C15H16O2 and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-hydroxycyclopentyl)-1-phenylbut-2-yn-1-one
Also Known As: 4-(1-hydroxycyclopentyl)-1-phenylbut-2-yn-1-one, 2-Butyn-1-one, 4-(1-hydroxycyclopentyl)-1-phenyl-, 4-(1-Hydroxycyclopentyl)-1-phenyl-2-butyn-1-one, Acetamide,N-[(3R)-4-(acetyloxy)-3-methylbutyl], RefChem:1069720
| Molecular Formula | C15H16O2 |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.11504 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 53391-62-1 |
|---|---|
| SMILES | C1CCC(C1)(CC#CC(=O)C2=CC=CC=C2)O |
| InChIKey | CAWFPGCKNZOGFF-UHFFFAOYSA-N |
Product Overview
4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one (CAS 53391-62-1), with molecular formula C15H16O2 and molecular weight 228.12 g/mol. IUPAC: 4-(1-hydroxycyclopentyl)-1-phenylbut-2-yn-1-one.
Chemical Property Profile of 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one
Property Insights of 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-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 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one?
The CAS number of 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one is 53391-62-1.
What is the molecular formula of 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one?
The molecular formula of 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one is C15H16O2.
What is the molecular weight of 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one?
The molecular weight of 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one is 228.12 g/mol.
Where can I buy 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one?
You can request a quote for 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.