Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester (CAS 32065-99-9) is a chemical compound with molecular formula C18H29NO5 and molecular weight 339.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)butyl 3,4,5-trimethoxybenzoate
Also Known As: 4-(diethylamino)butyl 3,4,5-trimethoxybenzoate, 3,4,5-Trimethoxybenzoic acid 4-(diethylamino)butyl ester, 4-10-00-02018 (Beilstein Handbook Reference), BENZOIC ACID, 3,4,5-TRIMETHOXY-, 4-(DIETHYLAMINO)BUTYL ESTER, 3,4,5-Trimethoxy-benzoesaeure-<4-diethylamino-butylester>
| Molecular Formula | C18H29NO5 |
|---|---|
| Molecular Weight | 339.20 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 339.20456 |
| Heavy Atoms | 24 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 32065-99-9 |
|---|---|
| SMILES | CCN(CC)CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | YMFPHXRHDDQKNI-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester (CAS 32065-99-9), with molecular formula C18H29NO5 and molecular weight 339.20 g/mol. IUPAC: 4-(diethylamino)butyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester
The XLogP value of 3.2 indicates that Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester has 0 hydrogen bond donor(s) and 6 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 Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester is 32065-99-9.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester is C18H29NO5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester is 339.20 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 4-(diethylamino)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.