3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)
TL;DR: 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1) (CAS 14188-05-7) is a chemical compound with molecular formula C19H24ClNO2S and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-benzylsulfanylbenzoyl)oxypropyl-dimethylazanium chloride
Also Known As: o-(Benzylthio)benzoic acid 3-(dimethylamino)propyl ester hydrochloride, BENZOIC ACID, o-(BENZYLTHIO)-, 3-(DIMETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-benzylsulfanylbenzoyl)oxypropyl-dimethylazanium chloride, 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1), RefChem:1067112
| Molecular Formula | C19H24ClNO2S |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | -0.33 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 365.12164 |
| Heavy Atoms | 24 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 14188-05-7 |
|---|---|
| SMILES | C[NH+](C)CCCOC(=O)C1=CC=CC=C1SCC2=CC=CC=C2.[Cl-] |
| InChIKey | XFTAUJTYLXXSOK-UHFFFAOYSA-N |
Product Overview
3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1) (CAS 14188-05-7), with molecular formula C19H24ClNO2S and molecular weight 365.12 g/mol. IUPAC: 3-(2-benzylsulfanylbenzoyl)oxypropyl-dimethylazanium chloride.
Chemical Property Profile of 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)
Property Insights of 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)
The XLogP value of -0.33 indicates that 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.0 Ų, 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1) has 1 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 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)?
The CAS number of 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1) is 14188-05-7.
What is the molecular formula of 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1) is C19H24ClNO2S.
What is the molecular weight of 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1) is 365.12 g/mol.
Where can I buy 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.