N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine
TL;DR: N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine (CAS 501653-65-2) is a chemical compound with molecular formula C10H12FNO4S and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetic acid
Also Known As: N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine, BB 0238626, N-[(4-Fluorophenyl)methyl]-N-(methylsulfonyl)glycine, 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetic acid, N-[(4-Fluorophenyl)methyl]-N-(methanesulfonyl)glycine
| Molecular Formula | C10H12FNO4S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.04712 |
| Heavy Atoms | 17 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 501653-65-2 |
|---|---|
| SMILES | CS(=O)(=O)N(CC1=CC=C(C=C1)F)CC(=O)O |
| InChIKey | YBJUMXHTBKJGDI-UHFFFAOYSA-N |
Product Overview
N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine (CAS 501653-65-2), with molecular formula C10H12FNO4S and molecular weight 261.05 g/mol. IUPAC: 2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetic acid.
Chemical Property Profile of N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine
Property Insights of N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine. Following Lipinski's Rule of Five, N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine has 1 hydrogen bond donor(s) and 6 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-(4-fluorobenzyl)-N-(methylsulfonyl)glycine?
The CAS number of N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine is 501653-65-2.
What is the molecular formula of N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine?
The molecular formula of N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine is C10H12FNO4S.
What is the molecular weight of N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine?
The molecular weight of N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine is 261.05 g/mol.
Where can I buy N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine?
You can request a quote for N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.