己酸-4-甲苯酯
TL;DR: 己酸-4-甲苯酯 (CAS 68141-11-7) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酸-4-甲苯酯
(4-methylphenyl) hexanoate
Also Known As: p-Tolyl hexanoate, 4-methylphenyl hexanoate, Hexanoic acid, 4-methylphenyl ester, (4-methylphenyl) hexanoate, para-cresyl hexanoate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 68141-11-7 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=C(C=C1)C |
| InChIKey | CUKVJQWRXQTFRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己酸-4-甲苯酯 (CAS 68141-11-7), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: (4-methylphenyl) hexanoate.
Chemical Property Profile of 己酸-4-甲苯酯
Property Insights of 己酸-4-甲苯酯
The XLogP value of 3.9 indicates that 己酸-4-甲苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 己酸-4-甲苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己酸-4-甲苯酯 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 己酸-4-甲苯酯?
The CAS number of 己酸-4-甲苯酯 is 68141-11-7.
What is the molecular formula of 己酸-4-甲苯酯?
The molecular formula of 己酸-4-甲苯酯 is C13H18O2.
What is the molecular weight of 己酸-4-甲苯酯?
The molecular weight of 己酸-4-甲苯酯 is 206.13 g/mol.
Where can I buy 己酸-4-甲苯酯?
You can request a quote for 己酸-4-甲苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酸-4-甲苯酯?
Yes, KEHONG BIO provides custom synthesis services for 己酸-4-甲苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.