BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER
TL;DR: BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER (CAS 67031-75-8) is a chemical compound with molecular formula C20H33NO2S and molecular weight 351.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dibutylamino)ethyl 2-propylsulfanylbenzoate
Also Known As: beta-Dibutylaminoethyl o-propylthiobenzoate, 2-(dibutylamino)ethyl 2-propylsulfanylbenzoate, o-(Propylthio)benzoic acid 2-(dibutylamino)ethyl ester, 2-(dibutylamino)ethyl 2-(propylsulfanyl)benzoate, 2-(Dibutylamino)ethyl=o-(propylthio)benzoate
| Molecular Formula | C20H33NO2S |
|---|---|
| Molecular Weight | 351.22 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 351.2232 |
| Heavy Atoms | 24 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 67031-75-8 |
|---|---|
| SMILES | CCCCN(CCCC)CCOC(=O)C1=CC=CC=C1SCCC |
| InChIKey | JPUASZCXUOJIJK-UHFFFAOYSA-N |
Product Overview
BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER (CAS 67031-75-8), with molecular formula C20H33NO2S and molecular weight 351.22 g/mol. IUPAC: 2-(dibutylamino)ethyl 2-propylsulfanylbenzoate.
Chemical Property Profile of BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER
Property Insights of BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER
The XLogP value of 5.7 indicates that BENZOIC ACID, o-(PROPYLTHIO)-, 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-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZOIC ACID, o-(PROPYLTHIO)-, 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
Frequently Asked Questions
What is the CAS number of BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER?
The CAS number of BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER is 67031-75-8.
What is the molecular formula of BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER?
The molecular formula of BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER is C20H33NO2S.
What is the molecular weight of BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER?
The molecular weight of BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER is 351.22 g/mol.
Where can I buy BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER?
You can request a quote for BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)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, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER?
Yes, KEHONG BIO provides custom synthesis services for BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.