Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1)
TL;DR: Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1) (CAS 127876-79-3) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-(2-phenylsulfanylphenyl)ethanamine;oxalic acid
Also Known As: tryptophol-4,5-dione, N-Methyl-2-(2-(phenylthio)phenyl)ethylamine oxalate, N-Methyl-2-(phenylthio)benzeneethanamine ethanedioate (1:1), Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1), N-methyl-2-(2-phenylsulfanylphenyl)ethanamine;oxalic acid
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 2.7553 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 619.5003 |
Chemical Identifiers
| CAS Number | 127876-79-3 |
|---|---|
| SMILES | CNCCC1=CC=CC=C1SC2=CC=CC=C2.C(=O)(C(=O)O)O |
Product Overview
Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1) (CAS 127876-79-3), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: N-methyl-2-(2-phenylsulfanylphenyl)ethanamine;oxalic acid.
Chemical Property Profile of Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1)
Property Insights of Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1)
The XLogP value of 2.7553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1). The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1). Following Lipinski's Rule of Five, Benzeneethanamine, N-methyl-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-methyl-2-(phenylthio)-, ethanedioate (1:1)?
The CAS number of Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1) is 127876-79-3.
What is the molecular formula of Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1)?
The molecular formula of Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1) is C17H19NO4S.
What is the molecular weight of Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1)?
The molecular weight of Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1) is 333.10 g/mol.
Where can I buy Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1)?
You can request a quote for Benzeneethanamine, N-methyl-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-methyl-2-(phenylthio)-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.