BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER
TL;DR: BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER (CAS 67031-78-1) is a chemical compound with molecular formula C17H27NO2S and molecular weight 309.17624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diethylamino)propyl 3-propylsulfanylbenzoate
Also Known As: gamma-Diethylaminopropyl m-propylthiobenzoate, 3-(diethylamino)propyl 3-propylsulfanylbenzoate, m-(Propylthio)benzoic acid 3-(diethylamino)propyl ester, 3-(Diethylamino)propyl=m-(propylthio)benzoate, 3-10-00-00274 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C17H27NO2S |
| Molecular Weight | 309.17624 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 309.17624 Da |
| Heavy Atoms | 21 |
| Complexity | 282.0 |
| SMILES | CCCSC1=CC=CC(=C1)C(=O)OCCCN(CC)CC |
| InChIKey | KWNMJCJSHOJOOT-UHFFFAOYSA-N |
Chemical Property Profile of BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER
Property Insights of BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER
The XLogP value of 4.3 indicates that BENZOIC ACID, m-(PROPYLTHIO)-, 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-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZOIC ACID, m-(PROPYLTHIO)-, 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-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
The CAS number of BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER is 67031-78-1.
What is the molecular formula of BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
The molecular formula of BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER is C17H27NO2S.
What is the molecular weight of BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
The molecular weight of BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER is 309.17624 g/mol.
Where can I buy BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
You can request a quote for BENZOIC ACID, m-(PROPYLTHIO)-, 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-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
Yes, CoreyChem provides custom synthesis services for BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.