BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER
TL;DR: BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER (CAS 67049-42-7) is a chemical compound with molecular formula C16H25NO2S and molecular weight 295.1606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diethylamino)propyl 3-ethylsulfanylbenzoate
Also Known As: gamma-Diethylaminopropyl m-ethylthiobenzoate, 3-(diethylamino)propyl 3-ethylsulfanylbenzoate, m-(Ethylthio)benzoic acid 3-(diethylamino)propyl ester, 3-(diethylamino)propyl 3-(ethylsulfanyl)benzoate, 3-(Diethylamino)propyl=m-(ethylthio)benzoate
Technical Specifications
| Molecular Formula | C16H25NO2S |
| Molecular Weight | 295.1606 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 295.1606 Da |
| Heavy Atoms | 20 |
| Complexity | 269.0 |
| SMILES | CCN(CC)CCCOC(=O)C1=CC(=CC=C1)SCC |
| InChIKey | BCMABZCVMMKKEV-UHFFFAOYSA-N |
Chemical Property Profile of BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER
Property Insights of BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER
The XLogP value of 3.8 indicates that BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL 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-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL 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
What is the CAS number of BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
The CAS number of BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER is 67049-42-7.
What is the molecular formula of BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
The molecular formula of BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER is C16H25NO2S.
What is the molecular weight of BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
The molecular weight of BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER is 295.1606 g/mol.
Where can I buy BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
You can request a quote for BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
Yes, CoreyChem provides custom synthesis services for BENZOIC ACID, m-(ETHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.