Cyclopentyl 3,5-dimethylbenzoate
TL;DR: Cyclopentyl 3,5-dimethylbenzoate (CAS 7471-28-5) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 3,5-dimethylbenzoate
Also Known As: cyclopentyl 3,5-dimethylbenzoate
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 7471-28-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)OC2CCCC2)C |
| InChIKey | SCNOHPDWBSDXFZ-UHFFFAOYSA-N |
Product Overview
Cyclopentyl 3,5-dimethylbenzoate (CAS 7471-28-5), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: cyclopentyl 3,5-dimethylbenzoate.
Chemical Property Profile of Cyclopentyl 3,5-dimethylbenzoate
Property Insights of Cyclopentyl 3,5-dimethylbenzoate
The XLogP value of 3.8 indicates that Cyclopentyl 3,5-dimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopentyl 3,5-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentyl 3,5-dimethylbenzoate has 0 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 Cyclopentyl 3,5-dimethylbenzoate?
The CAS number of Cyclopentyl 3,5-dimethylbenzoate is 7471-28-5.
What is the molecular formula of Cyclopentyl 3,5-dimethylbenzoate?
The molecular formula of Cyclopentyl 3,5-dimethylbenzoate is C14H18O2.
What is the molecular weight of Cyclopentyl 3,5-dimethylbenzoate?
The molecular weight of Cyclopentyl 3,5-dimethylbenzoate is 218.13 g/mol.
Where can I buy Cyclopentyl 3,5-dimethylbenzoate?
You can request a quote for Cyclopentyl 3,5-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentyl 3,5-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentyl 3,5-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.