3,5-二羟基苯甲酸庚酯
TL;DR: 3,5-二羟基苯甲酸庚酯 (CAS 37622-62-1) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二羟基苯甲酸庚酯
heptyl 3,5-dihydroxybenzoate
Also Known As: alpha-Resorcylic acid heptyl ester, heptyl 3,5-dihydroxybenzoate, 3,5-Dihydroxybenzoic acid heptyl ester, BENZOIC ACID, 3,5-DIHYDROXY-, HEPTYL ESTER, 3-10-00-01448 (Beilstein Handbook Reference)
| Molecular Formula | C14H20O4 |
|---|---|
| Molecular Weight | 252.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 252.13615 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 37622-62-1 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC(=CC(=C1)O)O |
| InChIKey | WVLHROSBNLITLX-UHFFFAOYSA-N |
Product Overview
3,5-二羟基苯甲酸庚酯 (CAS 37622-62-1), with molecular formula C14H20O4 and molecular weight 252.14 g/mol. IUPAC: heptyl 3,5-dihydroxybenzoate.
Chemical Property Profile of 3,5-二羟基苯甲酸庚酯
Property Insights of 3,5-二羟基苯甲酸庚酯
The XLogP value of 3.5 indicates that 3,5-二羟基苯甲酸庚酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-二羟基苯甲酸庚酯. Following Lipinski's Rule of Five, 3,5-二羟基苯甲酸庚酯 has 2 hydrogen bond donor(s) and 4 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 3,5-二羟基苯甲酸庚酯?
The CAS number of 3,5-二羟基苯甲酸庚酯 is 37622-62-1.
What is the molecular formula of 3,5-二羟基苯甲酸庚酯?
The molecular formula of 3,5-二羟基苯甲酸庚酯 is C14H20O4.
What is the molecular weight of 3,5-二羟基苯甲酸庚酯?
The molecular weight of 3,5-二羟基苯甲酸庚酯 is 252.14 g/mol.
Where can I buy 3,5-二羟基苯甲酸庚酯?
You can request a quote for 3,5-二羟基苯甲酸庚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二羟基苯甲酸庚酯?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二羟基苯甲酸庚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.