Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate
TL;DR: Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate (CAS 94291-71-1) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl (1-prop-2-ynylcyclohexyl) carbonate
Also Known As: phenyl1- cyclohexylcarbonate, Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate, EINECS 304-897-2, phenyl (1-prop-2-ynylcyclohexyl) carbonate, Carbonic acid [1-(2-propynyl)cyclohexyl](phenyl) ester
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 3.9282 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 452.63245 |
Chemical Identifiers
| CAS Number | 94291-71-1 |
|---|---|
| SMILES | C#CCC1(CCCCC1)OC(=O)OC2=CC=CC=C2 |
Product Overview
Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate (CAS 94291-71-1), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: phenyl (1-prop-2-ynylcyclohexyl) carbonate.
Chemical Property Profile of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate
Property Insights of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate
The XLogP value of 3.9282 indicates that Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate 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 Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
The CAS number of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate is 94291-71-1.
What is the molecular formula of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
The molecular formula of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate is C16H18O3.
What is the molecular weight of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
The molecular weight of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate is 258.13 g/mol.
Where can I buy Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
You can request a quote for Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.