Boc-cys(npys)-nhs
TL;DR: Boc-cys(npys)-nhs (CAS 100108-75-6) is a chemical compound with molecular formula C17H20N4O8S2 and molecular weight 472.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrolidin-1-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)disulfanyl]propanoate
Also Known As: Boc-cys(npys)-nhs, tert-Butyloxycarbonyl-(S-(3-nitro-2-pyridinesulfenyl))cysteine-N-hydroxysuccinimide, Boc-S-4-methylbenzyl-L-cysteine N-hydroxysuccinimide ester, (2,5-dioxopyrrolidin-1-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitropyridin-2-yl)disulfanyl]propanoate, 2,5-Dioxo-1-pyrrolidinyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3 -[(3-nitro-2-pyridinyl)disulfanyl]-L-alaninate
| Molecular Formula | C17H20N4O8S2 |
|---|---|
| Molecular Weight | 472.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.07227 |
| Heavy Atoms | 31 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 100108-75-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CSSC1=C(C=CC=N1)[N+](=O)[O-])C(=O)ON2C(=O)CCC2=O |
| InChIKey | DDBQOWBWRJCDEQ-JTQLQIEISA-N |
Product Overview
Boc-cys(npys)-nhs (CAS 100108-75-6), with molecular formula C17H20N4O8S2 and molecular weight 472.07 g/mol. IUPAC: (2,5-dioxopyrrolidin-1-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)disulfanyl]propanoate.
Chemical Property Profile of Boc-cys(npys)-nhs
Property Insights of Boc-cys(npys)-nhs
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-cys(npys)-nhs. The TPSA of 211.0 Ų indicates high polarity, suggesting Boc-cys(npys)-nhs may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-cys(npys)-nhs has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Boc-cys(npys)-nhs?
The CAS number of Boc-cys(npys)-nhs is 100108-75-6.
What is the molecular formula of Boc-cys(npys)-nhs?
The molecular formula of Boc-cys(npys)-nhs is C17H20N4O8S2.
What is the molecular weight of Boc-cys(npys)-nhs?
The molecular weight of Boc-cys(npys)-nhs is 472.07 g/mol.
Where can I buy Boc-cys(npys)-nhs?
You can request a quote for Boc-cys(npys)-nhs directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-cys(npys)-nhs?
Yes, KEHONG BIO provides custom synthesis services for Boc-cys(npys)-nhs and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.