BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER
TL;DR: BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER (CAS 67031-96-3) is a chemical compound with molecular formula C15H23NO2S and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)propyl 3-methylsulfanylbenzoate
Also Known As: gamma-Diethylaminopropyl m-methylthiobenzoate, 3-(diethylamino)propyl 3-methylsulfanylbenzoate, m-(Methylthio)benzoic acid 3-(diethylamino)propyl ester, 3-(diethylamino)propyl 3-(methylsulfanyl)benzoate, 3-(Diethylamino)propyl=m-(methylthio)benzoate
| Molecular Formula | C15H23NO2S |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 281.14496 |
| Heavy Atoms | 19 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 67031-96-3 |
|---|---|
| SMILES | CCN(CC)CCCOC(=O)C1=CC(=CC=C1)SC |
| InChIKey | OBXRRRNYLLMSNP-UHFFFAOYSA-N |
Product Overview
BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER (CAS 67031-96-3), with molecular formula C15H23NO2S and molecular weight 281.14 g/mol. IUPAC: 3-(diethylamino)propyl 3-methylsulfanylbenzoate.
Chemical Property Profile of BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER
Property Insights of BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER
The XLogP value of 3.4 indicates that BENZOIC ACID, m-(METHYLTHIO)-, 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-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZOIC ACID, m-(METHYLTHIO)-, 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
Frequently Asked Questions
What is the CAS number of BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
The CAS number of BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER is 67031-96-3.
What is the molecular formula of BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
The molecular formula of BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER is C15H23NO2S.
What is the molecular weight of BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
The molecular weight of BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER is 281.14 g/mol.
Where can I buy BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
You can request a quote for BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL 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-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER?
Yes, KEHONG BIO provides custom synthesis services for BENZOIC ACID, m-(METHYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.