N,O-Bis(phenylmethanesulfonyl)tyrosine
TL;DR: N,O-Bis(phenylmethanesulfonyl)tyrosine (CAS 7469-39-8) is a chemical compound with molecular formula C23H23NO7S2 and molecular weight 489.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfonylamino)-3-(4-benzylsulfonyloxyphenyl)propanoic acid
Also Known As: N,O-Bis(phenylmethanesulfonyl)tyrosine, 2-(benzylsulfonylamino)-3-(4-benzylsulfonyloxyphenyl)propanoic acid
| Molecular Formula | C23H23NO7S2 |
|---|---|
| Molecular Weight | 489.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 489.09158 |
| Heavy Atoms | 33 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 7469-39-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)CC3=CC=CC=C3)C(=O)O |
| InChIKey | ANWQWELVWMTWQJ-UHFFFAOYSA-N |
Product Overview
N,O-Bis(phenylmethanesulfonyl)tyrosine (CAS 7469-39-8), with molecular formula C23H23NO7S2 and molecular weight 489.09 g/mol. IUPAC: 2-(benzylsulfonylamino)-3-(4-benzylsulfonyloxyphenyl)propanoic acid.
Chemical Property Profile of N,O-Bis(phenylmethanesulfonyl)tyrosine
Property Insights of N,O-Bis(phenylmethanesulfonyl)tyrosine
The XLogP value of 3.4 indicates that N,O-Bis(phenylmethanesulfonyl)tyrosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting N,O-Bis(phenylmethanesulfonyl)tyrosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,O-Bis(phenylmethanesulfonyl)tyrosine has 2 hydrogen bond donor(s) and 8 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,O-Bis(phenylmethanesulfonyl)tyrosine?
The CAS number of N,O-Bis(phenylmethanesulfonyl)tyrosine is 7469-39-8.
What is the molecular formula of N,O-Bis(phenylmethanesulfonyl)tyrosine?
The molecular formula of N,O-Bis(phenylmethanesulfonyl)tyrosine is C23H23NO7S2.
What is the molecular weight of N,O-Bis(phenylmethanesulfonyl)tyrosine?
The molecular weight of N,O-Bis(phenylmethanesulfonyl)tyrosine is 489.09 g/mol.
Where can I buy N,O-Bis(phenylmethanesulfonyl)tyrosine?
You can request a quote for N,O-Bis(phenylmethanesulfonyl)tyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,O-Bis(phenylmethanesulfonyl)tyrosine?
Yes, KEHONG BIO provides custom synthesis services for N,O-Bis(phenylmethanesulfonyl)tyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.