Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester
TL;DR: Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester (CAS 67049-67-6) is a chemical compound with molecular formula C19H31NO2S and molecular weight 337.20755 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dibutylamino)ethyl 2-ethylsulfanylbenzoate
Also Known As: beta-Dibutylaminoethyl o-ethylthiobenzoate, 3-10-00-00229 (Beilstein Handbook Reference), o-(Ethylthio)benzoic acid 2-(dibutylamino)ethyl ester, BENZOIC ACID, o-(ETHYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER, 2-(dibutylamino)ethyl 2-ethylsulfanylbenzoate
Technical Specifications
| Molecular Formula | C19H31NO2S |
| Molecular Weight | 337.20755 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 337.20755 Da |
| Heavy Atoms | 23 |
| Complexity | 304.0 |
| SMILES | CCCCN(CCCC)CCOC(=O)C1=CC=CC=C1SCC |
| InChIKey | JTONJFVSNBYBSC-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester
Property Insights of Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester
The XLogP value of 5.2 indicates that Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester?
The CAS number of Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester is 67049-67-6.
What is the molecular formula of Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester?
The molecular formula of Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester is C19H31NO2S.
What is the molecular weight of Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester?
The molecular weight of Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester is 337.20755 g/mol.
Where can I buy Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester?
You can request a quote for Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.