3-Phenylpropyl cyclohexanepropionate
TL;DR: 3-Phenylpropyl cyclohexanepropionate (CAS 85204-27-9) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 3-cyclohexylpropanoate
Also Known As: 3-Phenylpropyl cyclohexanepropionate, 3-phenylpropyl 3-cyclohexylpropanoate, 3-PHENYLPROPYL CYCLOHEXANEPROPANOATE, Cyclohexanepropanoicacid, 3-phenylpropyl ester, Cyclohexanepropionic acid 3-phenylpropyl ester
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 85204-27-9 |
|---|---|
| SMILES | C1CCC(CC1)CCC(=O)OCCCC2=CC=CC=C2 |
| InChIKey | VECOJECXTIMSPX-UHFFFAOYSA-N |
Product Overview
3-Phenylpropyl cyclohexanepropionate (CAS 85204-27-9), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: 3-phenylpropyl 3-cyclohexylpropanoate.
Chemical Property Profile of 3-Phenylpropyl cyclohexanepropionate
Property Insights of 3-Phenylpropyl cyclohexanepropionate
The XLogP value of 5.5 indicates that 3-Phenylpropyl cyclohexanepropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylpropyl cyclohexanepropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl cyclohexanepropionate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phenylpropyl cyclohexanepropionate?
The CAS number of 3-Phenylpropyl cyclohexanepropionate is 85204-27-9.
What is the molecular formula of 3-Phenylpropyl cyclohexanepropionate?
The molecular formula of 3-Phenylpropyl cyclohexanepropionate is C18H26O2.
What is the molecular weight of 3-Phenylpropyl cyclohexanepropionate?
The molecular weight of 3-Phenylpropyl cyclohexanepropionate is 274.19 g/mol.
Where can I buy 3-Phenylpropyl cyclohexanepropionate?
You can request a quote for 3-Phenylpropyl cyclohexanepropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl cyclohexanepropionate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl cyclohexanepropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.