4-Methylphenylcyclopentanecarboxylate
TL;DR: 4-Methylphenylcyclopentanecarboxylate (CAS 55229-48-6) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) cyclopentanecarboxylate
Also Known As: 4-methylphenyl cyclopentanecarboxylate, 4-methylphenylcyclopentanecarboxylate, (4-methylphenyl) cyclopentanecarboxylate, AO-548/41714312
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.09062 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 334.0585 |
Chemical Identifiers
| CAS Number | 55229-48-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2CCCC2 |
Product Overview
4-Methylphenylcyclopentanecarboxylate (CAS 55229-48-6), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: (4-methylphenyl) cyclopentanecarboxylate.
Chemical Property Profile of 4-Methylphenylcyclopentanecarboxylate
Property Insights of 4-Methylphenylcyclopentanecarboxylate
The XLogP value of 3.09062 indicates that 4-Methylphenylcyclopentanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylphenylcyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenylcyclopentanecarboxylate 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 4-Methylphenylcyclopentanecarboxylate?
The CAS number of 4-Methylphenylcyclopentanecarboxylate is 55229-48-6.
What is the molecular formula of 4-Methylphenylcyclopentanecarboxylate?
The molecular formula of 4-Methylphenylcyclopentanecarboxylate is C13H16O2.
What is the molecular weight of 4-Methylphenylcyclopentanecarboxylate?
The molecular weight of 4-Methylphenylcyclopentanecarboxylate is 204.12 g/mol.
Where can I buy 4-Methylphenylcyclopentanecarboxylate?
You can request a quote for 4-Methylphenylcyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenylcyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenylcyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.