N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine
TL;DR: N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine (CAS 76863-84-8) is a chemical compound with molecular formula C18H21N3O5S and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3-nitro-2-pyridinyl)sulfanylamino]propanoic acid
Also Known As: N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine, 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic Acid, (2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid
| Molecular Formula | C18H21N3O5S |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 3.4597 |
| Topological Polar Surface Area | 114.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.12018 |
| Heavy Atoms | 27 |
| Complexity | 805.3895 |
Chemical Identifiers
| CAS Number | 76863-84-8 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NSC2=C(C=CC=N2)[N+](=O)[O-] |
Product Overview
N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine (CAS 76863-84-8), with molecular formula C18H21N3O5S and molecular weight 391.12 g/mol. IUPAC: 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3-nitro-2-pyridinyl)sulfanylamino]propanoic acid.
Chemical Property Profile of N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine
Property Insights of N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine
The XLogP value of 3.4597 indicates that N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine. Following Lipinski's Rule of Five, N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine has 2 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 N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine?
The CAS number of N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine is 76863-84-8.
What is the molecular formula of N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine?
The molecular formula of N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine is C18H21N3O5S.
What is the molecular weight of N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine?
The molecular weight of N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine is 391.12 g/mol.
Where can I buy N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine?
You can request a quote for N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Nitro-2-pyridinesulfenyl)-O-t-butyl-L-tyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.