N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester
TL;DR: N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester (CAS 108312-24-9) is a chemical compound with molecular formula C13H17N3O6S and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylpropan-2-yl)oxy]-2-[(3-nitro-2-pyridinyl)sulfanylamino]-4-oxobutanoic acid
Also Known As: N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester, 4-[(2-methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-4-oxobutanoic acid, N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid, A-t-butyl ester, 4-tert-Butoxy-2-{[(3-nitropyridin-2-yl)sulfanyl]amino}-4-oxobutanoic acid
| Molecular Formula | C13H17N3O6S |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 1.7715 |
| Topological Polar Surface Area | 131.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.0838 |
| Heavy Atoms | 23 |
| Complexity | 601.6178 |
Chemical Identifiers
| CAS Number | 108312-24-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(C(=O)O)NSC1=C(C=CC=N1)[N+](=O)[O-] |
Product Overview
N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester (CAS 108312-24-9), with molecular formula C13H17N3O6S and molecular weight 343.08 g/mol. IUPAC: 4-[(2-methylpropan-2-yl)oxy]-2-[(3-nitro-2-pyridinyl)sulfanylamino]-4-oxobutanoic acid.
Chemical Property Profile of N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester
Property Insights of N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester
The XLogP value of 1.7715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester. The TPSA of 131.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester. Following Lipinski's Rule of Five, N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester 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 N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester?
The CAS number of N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester is 108312-24-9.
What is the molecular formula of N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester?
The molecular formula of N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester is C13H17N3O6S.
What is the molecular weight of N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester?
The molecular weight of N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester is 343.08 g/mol.
Where can I buy N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester?
You can request a quote for N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester 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)-L-aspartic acid beta-t-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Nitro-2-pyridinesulfenyl)-L-aspartic acid beta-t-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.