4-辛基苯甲酸甲酯
TL;DR: 4-辛基苯甲酸甲酯 (CAS 54256-51-8) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-辛基苯甲酸甲酯
methyl 4-octylbenzoate
Also Known As: methyl 4-octylbenzoate, Methyl p-octylbenzoate, methyl4-octylbenzoate, 4-Octylbenzoic acid methyl ester, 4-Octylbenzoicacidmethylester
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 54256-51-8 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(=O)OC |
| InChIKey | NKSKNAWLKUQLNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-辛基苯甲酸甲酯 (CAS 54256-51-8), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: methyl 4-octylbenzoate.
Chemical Property Profile of 4-辛基苯甲酸甲酯
Property Insights of 4-辛基苯甲酸甲酯
The XLogP value of 6.4 indicates that 4-辛基苯甲酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-辛基苯甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-辛基苯甲酸甲酯 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 4-辛基苯甲酸甲酯?
The CAS number of 4-辛基苯甲酸甲酯 is 54256-51-8.
What is the molecular formula of 4-辛基苯甲酸甲酯?
The molecular formula of 4-辛基苯甲酸甲酯 is C16H24O2.
What is the molecular weight of 4-辛基苯甲酸甲酯?
The molecular weight of 4-辛基苯甲酸甲酯 is 248.18 g/mol.
Where can I buy 4-辛基苯甲酸甲酯?
You can request a quote for 4-辛基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-辛基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-辛基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.