3,5-二乙基苯甲酸
TL;DR: 3,5-二乙基苯甲酸 (CAS 3854-90-8) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二乙基苯甲酸
3,5-diethylbenzoic acid
Also Known As: 3,5-Diethylbenzoic acid, 3,5-diethylbenzoicacid, Benzoic acid, 3,5-diethyl-, 3,5-diethyl benzoic acid, Benzoic acid,3,5-diethyl-
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 3854-90-8 |
|---|---|
| SMILES | CCC1=CC(=CC(=C1)C(=O)O)CC |
| InChIKey | MSWNGSGXXVLVPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二乙基苯甲酸 (CAS 3854-90-8), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 3,5-diethylbenzoic acid.
Chemical Property Profile of 3,5-二乙基苯甲酸
Property Insights of 3,5-二乙基苯甲酸
The XLogP value of 3.0 indicates that 3,5-二乙基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-二乙基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二乙基苯甲酸 has 1 hydrogen bond donor(s) and 2 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 3,5-二乙基苯甲酸?
The CAS number of 3,5-二乙基苯甲酸 is 3854-90-8.
What is the molecular formula of 3,5-二乙基苯甲酸?
The molecular formula of 3,5-二乙基苯甲酸 is C11H14O2.
What is the molecular weight of 3,5-二乙基苯甲酸?
The molecular weight of 3,5-二乙基苯甲酸 is 178.10 g/mol.
Where can I buy 3,5-二乙基苯甲酸?
You can request a quote for 3,5-二乙基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二乙基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二乙基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.