4-庚基苯甲酸
TL;DR: 4-庚基苯甲酸 (CAS 4837-33-6) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-庚基苯甲酸
4-heptylbenzoic acid
Also Known As: 4-Heptylbenzoic acid, 4-n-heptylbenzoic acid, Benzoic acid, 4-heptyl-, 4-Heptylbenzoicacid, p-Heptylbenzoic acid
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 4837-33-6 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)O |
| InChIKey | VSUKEWPHURLYTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-庚基苯甲酸 (CAS 4837-33-6), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 4-heptylbenzoic acid.
Chemical Property Profile of 4-庚基苯甲酸
Property Insights of 4-庚基苯甲酸
The XLogP value of 5.6 indicates that 4-庚基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-庚基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-庚基苯甲酸 has 1 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?
The CAS number of 4-庚基苯甲酸 is 4837-33-6.
What is the molecular formula of 4-庚基苯甲酸?
The molecular formula of 4-庚基苯甲酸 is C14H20O2.
What is the molecular weight of 4-庚基苯甲酸?
The molecular weight of 4-庚基苯甲酸 is 220.15 g/mol.
Where can I buy 4-庚基苯甲酸?
You can request a quote for 4-庚基苯甲酸 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?
Yes, KEHONG BIO provides custom synthesis services for 4-庚基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.