N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine
TL;DR: N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine (CAS 656816-08-9) is a chemical compound with molecular formula C17H17FN2O2S and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[benzyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]acetic acid
Also Known As: N-{[benzyl(2-fluorobenzyl)amino]carbonothioyl}glycine, N-{Benzyl[(2-fluorophenyl)methyl]carbamothioyl}glycine, 2-[[benzyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]acetic acid, N-[[[(2-Fluorophenyl)methyl](phenylmethyl)amino]thioxomethyl]glycine, ({[benzyl(2-fluorobenzyl)amino]carbonothioyl}amino)acetic acid
| Molecular Formula | C17H17FN2O2S |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 2.787 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.0995 |
| Heavy Atoms | 23 |
| Complexity | 679.3034 |
Chemical Identifiers
| CAS Number | 656816-08-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2F)C(=S)NCC(=O)O |
Product Overview
N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine (CAS 656816-08-9), with molecular formula C17H17FN2O2S and molecular weight 332.10 g/mol. IUPAC: 2-[[benzyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]acetic acid.
Chemical Property Profile of N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine
Property Insights of N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine
The XLogP value of 2.787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine. With a topological polar surface area (TPSA) of 52.57 Ų, N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine has 2 hydrogen bond donor(s) and 2 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 N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine?
The CAS number of N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine is 656816-08-9.
What is the molecular formula of N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine?
The molecular formula of N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine is C17H17FN2O2S.
What is the molecular weight of N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine?
The molecular weight of N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine is 332.10 g/mol.
Where can I buy N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine?
You can request a quote for N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine?
Yes, KEHONG BIO provides custom synthesis services for N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.