Boc-Cys(Acm)-ONp
TL;DR: Boc-Cys(Acm)-ONp (CAS 58651-76-6) is a chemical compound with molecular formula C17H23N3O7S and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3-(acetamidomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-Cys(Acm)-ONp, Boc-S-acetamidomethyl-L-cysteine 4-nitrophenyl ester, N-Boc-S-acetamidomethyl-L-cysteine 4-nitrophenyl ester, Boc-S-[(Acetylamino)methyl]-L-cysteine 4-nitrophenyl ester, 4-nitrophenyl s-[(acetylamino)methyl]-n-(tert-butoxycarbonyl)cysteinate
| Molecular Formula | C17H23N3O7S |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 413.12567 |
| Heavy Atoms | 28 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 58651-76-6 |
|---|---|
| SMILES | CC(=O)NCSCC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C |
| InChIKey | YMMVJNPHWLDKCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Boc-Cys(Acm)-ONp (CAS 58651-76-6), with molecular formula C17H23N3O7S and molecular weight 413.13 g/mol. IUPAC: (4-nitrophenyl) 3-(acetamidomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of Boc-Cys(Acm)-ONp
Property Insights of Boc-Cys(Acm)-ONp
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-Cys(Acm)-ONp. The TPSA of 165.0 Ų indicates high polarity, suggesting Boc-Cys(Acm)-ONp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-Cys(Acm)-ONp 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 Boc-Cys(Acm)-ONp?
The CAS number of Boc-Cys(Acm)-ONp is 58651-76-6.
What is the molecular formula of Boc-Cys(Acm)-ONp?
The molecular formula of Boc-Cys(Acm)-ONp is C17H23N3O7S.
What is the molecular weight of Boc-Cys(Acm)-ONp?
The molecular weight of Boc-Cys(Acm)-ONp is 413.13 g/mol.
Where can I buy Boc-Cys(Acm)-ONp?
You can request a quote for Boc-Cys(Acm)-ONp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-Cys(Acm)-ONp?
Yes, KEHONG BIO provides custom synthesis services for Boc-Cys(Acm)-ONp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.