p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate
TL;DR: p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate (CAS 3560-17-6) is a chemical compound with molecular formula C21H24N2O6S and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) (2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-Cys(Bzl)-ONp, Boc-L-Cys(Bzl)-ONp, BOC-CYS -ONP, Boc-S-Benzyl-L-cysteine 4-nitrophenyl ester, 4-nitrophenyl s-benzyl-n-(tert-butoxycarbonyl)-l-cysteinate
| Molecular Formula | C21H24N2O6S |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 432.1355 |
| Heavy Atoms | 30 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 3560-17-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DEQZTANESNRFKU-SFHVURJKSA-N |
Product Overview
p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate (CAS 3560-17-6), with molecular formula C21H24N2O6S and molecular weight 432.14 g/mol. IUPAC: (4-nitrophenyl) (2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate
Property Insights of p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate
The XLogP value of 4.4 indicates that p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate. Following Lipinski's Rule of Five, p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate has 1 hydrogen bond donor(s) and 7 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 p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate?
The CAS number of p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate is 3560-17-6.
What is the molecular formula of p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate?
The molecular formula of p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate is C21H24N2O6S.
What is the molecular weight of p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate?
The molecular weight of p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate is 432.14 g/mol.
Where can I buy p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate?
You can request a quote for p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.