Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester
TL;DR: Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester (CAS 100311-18-0) is a chemical compound with molecular formula C22H30N2O3 and molecular weight 370.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 4-(butylamino)-2-phenylmethoxybenzoate
Also Known As: 4-14-00-02003 (Beilstein Handbook Reference), BENZOIC ACID, 2-(BENZYLOXY)-4-BUTYLAMINO-, 2-(DIMETHYLAMINO)ETHYL ESTER, 2-(Benzyloxy)-4-butylamino-benzoic acid 2-(dimethylamino)ethyl ester, 2-(dimethylamino)ethyl 4-(butylamino)-2-phenylmethoxybenzoate, 2-dimethylaminoethyl 4-(butylamino)-2-phenylmethoxybenzoate
| Molecular Formula | C22H30N2O3 |
|---|---|
| Molecular Weight | 370.23 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 370.22565 |
| Heavy Atoms | 27 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 100311-18-0 |
|---|---|
| SMILES | CCCCNC1=CC(=C(C=C1)C(=O)OCCN(C)C)OCC2=CC=CC=C2 |
| InChIKey | HJBIFGZXDVPQPY-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester (CAS 100311-18-0), with molecular formula C22H30N2O3 and molecular weight 370.23 g/mol. IUPAC: 2-(dimethylamino)ethyl 4-(butylamino)-2-phenylmethoxybenzoate.
Chemical Property Profile of Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester
Property Insights of Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester
The XLogP value of 4.5 indicates that Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester has 1 hydrogen bond donor(s) and 5 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, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester?
The CAS number of Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester is 100311-18-0.
What is the molecular formula of Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester?
The molecular formula of Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester is C22H30N2O3.
What is the molecular weight of Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester?
The molecular weight of Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester is 370.23 g/mol.
Where can I buy Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester?
You can request a quote for Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl 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, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(benzyloxy)-4-butylamino-, 2-(dimethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.