Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid
TL;DR: Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid (CAS 16947-86-7) is a chemical compound with molecular formula C15H22N2O6S and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-(S-ethyl)Cys-OH, Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid, 6219AH, Boc-(S)-3-amino-2-(p-toluenesulfonylamino)-propionic acid, A-8729
| Molecular Formula | C15H22N2O6S |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 1.25122 |
| Topological Polar Surface Area | 121.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.11984 |
| Heavy Atoms | 24 |
| Complexity | 691.6696 |
Chemical Identifiers
| CAS Number | 16947-86-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)O |
Product Overview
Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid (CAS 16947-86-7), with molecular formula C15H22N2O6S and molecular weight 358.12 g/mol. IUPAC: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid
Property Insights of Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid
The XLogP value of 1.25122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid. The TPSA of 121.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid. Following Lipinski's Rule of Five, Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid has 3 hydrogen bond donor(s) and 5 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 Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid?
The CAS number of Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid is 16947-86-7.
What is the molecular formula of Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid?
The molecular formula of Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid is C15H22N2O6S.
What is the molecular weight of Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid?
The molecular weight of Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid is 358.12 g/mol.
Where can I buy Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid?
You can request a quote for Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.