Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1)
TL;DR: Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1) (CAS 127876-84-0) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1-(2-phenylsulfanylphenyl)propan-2-amine;oxalic acid
Also Known As: N-Methyl-1-(2-(phenylthio)phenyl)-2-propylamine oxalate, N,alpha-Dimethyl-2-(phenylthio)benzeneethanamine ethanedioate (1:1), Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1), N-methyl-1-(2-phenylsulfanylphenyl)propan-2-amine; oxalic acid, Oxalic acid--N-methyl-1-[2-(phenylsulfanyl)phenyl]propan-2-amine (1/1)
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.1438 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 649.0781 |
Chemical Identifiers
| CAS Number | 127876-84-0 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1SC2=CC=CC=C2)NC.C(=O)(C(=O)O)O |
Product Overview
Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1) (CAS 127876-84-0), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: N-methyl-1-(2-phenylsulfanylphenyl)propan-2-amine;oxalic acid.
Chemical Property Profile of Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1)
Property Insights of Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1)
The XLogP value of 3.1438 indicates that Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1). Following Lipinski's Rule of Five, Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1) has 3 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 Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1)?
The CAS number of Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1) is 127876-84-0.
What is the molecular formula of Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1)?
The molecular formula of Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1) is C18H21NO4S.
What is the molecular weight of Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1)?
The molecular weight of Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1) is 347.12 g/mol.
Where can I buy Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1)?
You can request a quote for Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.