3-己基水杨酸
TL;DR: 3-己基水杨酸 (CAS 30762-15-3) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-己基水杨酸
3-hexyl-2-hydroxybenzoic acid
Also Known As: 3-Hexylsalicylic acid, hexylhydroxybenzoic acid, 3-hexyl-2-hydroxybenzoic acid, Benzoic acid,3-hexyl-2-hydroxy-, Benzoic acid, 3-hexyl-2-hydroxy-
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 30762-15-3 |
|---|---|
| SMILES | CCCCCCC1=C(C(=CC=C1)C(=O)O)O |
| InChIKey | WJCRKKDULZQKDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-己基水杨酸 (CAS 30762-15-3), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 3-hexyl-2-hydroxybenzoic acid.
Chemical Property Profile of 3-己基水杨酸
Property Insights of 3-己基水杨酸
The XLogP value of 5.5 indicates that 3-己基水杨酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-己基水杨酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-己基水杨酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-己基水杨酸?
The CAS number of 3-己基水杨酸 is 30762-15-3.
What is the molecular formula of 3-己基水杨酸?
The molecular formula of 3-己基水杨酸 is C13H18O3.
What is the molecular weight of 3-己基水杨酸?
The molecular weight of 3-己基水杨酸 is 222.13 g/mol.
Where can I buy 3-己基水杨酸?
You can request a quote for 3-己基水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-己基水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 3-己基水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.