2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)
TL;DR: 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) (CAS 40603-45-0) is a chemical compound with molecular formula C12H18ClNO2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-phenylsulfanylacetate;hydrochloride
Also Known As: Benzyl L-tryptophanate monohydrochloride, 2-(Dimethylamino)ethyl (phenylthio)acetate hydrochloride, Acetic acid, (phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride, 2-(dimethylamino)ethyl(phenylsulfanyl)acetate hydrochloride(1:1), 2-dimethylaminoethyl 2-phenylsulfanylacetate hydrochloride
| Molecular Formula | C12H18ClNO2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 2.3053 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.07468 |
| Heavy Atoms | 17 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 40603-45-0 |
|---|---|
| SMILES | CN(C)CCOC(=O)CSC1=CC=CC=C1.Cl |
| InChIKey | ZHGAAFFSRSHDDA-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) (CAS 40603-45-0), with molecular formula C12H18ClNO2S and molecular weight 275.07 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-phenylsulfanylacetate;hydrochloride.
Chemical Property Profile of 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)
Property Insights of 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)
The XLogP value of 2.3053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 54.8 Ų, 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--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 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)?
The CAS number of 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) is 40603-45-0.
What is the molecular formula of 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)?
The molecular formula of 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) is C12H18ClNO2S.
What is the molecular weight of 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)?
The molecular weight of 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) is 275.07 g/mol.
Where can I buy 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)?
You can request a quote for 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--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 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.