BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER
TL;DR: BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER (CAS 67031-76-9) is a chemical compound with molecular formula C16H25NO2S and molecular weight 295.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-propylsulfanylbenzoate
Also Known As: beta-Diethylaminoethyl m-propylthiobenzoate, m-(Propylthio)benzoic acid 2-(diethylamino)ethyl ester, 2-diethylaminoethyl 3-propylsulfanylbenzoate, 2-(diethylamino)ethyl 3-(propylsulfanyl)benzoate, 2-(Diethylamino)ethyl=m-(propylthio)benzoate
| Molecular Formula | C16H25NO2S |
|---|---|
| Molecular Weight | 295.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 295.1606 |
| Heavy Atoms | 20 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 67031-76-9 |
|---|---|
| SMILES | CCCSC1=CC=CC(=C1)C(=O)OCCN(CC)CC |
| InChIKey | QMVYJNVKAMKNIC-UHFFFAOYSA-N |
Product Overview
BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER (CAS 67031-76-9), with molecular formula C16H25NO2S and molecular weight 295.16 g/mol. IUPAC: 2-(diethylamino)ethyl 3-propylsulfanylbenzoate.
Chemical Property Profile of BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER
Property Insights of BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER
The XLogP value of 4.0 indicates that BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)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, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER has 0 hydrogen bond donor(s) and 4 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, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER?
The CAS number of BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER is 67031-76-9.
What is the molecular formula of BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER?
The molecular formula of BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER is C16H25NO2S.
What is the molecular weight of BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER?
The molecular weight of BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER is 295.16 g/mol.
Where can I buy BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER?
You can request a quote for BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)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, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER?
Yes, KEHONG BIO provides custom synthesis services for BENZOIC ACID, m-(PROPYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.