4-庚基苯甲酸甲酯
TL;DR: 4-庚基苯甲酸甲酯 (CAS 68109-90-0) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-庚基苯甲酸甲酯
methyl 4-heptylbenzoate
Also Known As: Methyl 4-heptylbenzoate, Methyl p-heptylbenzoate, methyl4-heptylbenzoate, Diaethylamin [German], Benzoic acid, 4-heptyl-, methyl ester
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 68109-90-0 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)OC |
| InChIKey | VSXNZWYZIJDUSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-庚基苯甲酸甲酯 (CAS 68109-90-0), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: methyl 4-heptylbenzoate.
Chemical Property Profile of 4-庚基苯甲酸甲酯
Property Insights of 4-庚基苯甲酸甲酯
The XLogP value of 5.8 indicates that 4-庚基苯甲酸甲酯 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-庚基苯甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-庚基苯甲酸甲酯 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-庚基苯甲酸甲酯?
The CAS number of 4-庚基苯甲酸甲酯 is 68109-90-0.
What is the molecular formula of 4-庚基苯甲酸甲酯?
The molecular formula of 4-庚基苯甲酸甲酯 is C15H22O2.
What is the molecular weight of 4-庚基苯甲酸甲酯?
The molecular weight of 4-庚基苯甲酸甲酯 is 234.16 g/mol.
Where can I buy 4-庚基苯甲酸甲酯?
You can request a quote for 4-庚基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-庚基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-庚基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.