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Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate
TL;DR: Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate (CAS 339101-21-2) is a chemical compound with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-nitro-2-pyridinyl)amino]butanoate
Also Known As: Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate, methyl 4-[(3-nitro-2-pyridinyl)amino]butanoate, Methyl4-[(3-nitropyridin-2-yl)amino]butanoate
| Molecular Formula | C10H13N3O4 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 1.3549 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.0906 |
| Heavy Atoms | 17 |
| Complexity | 408.29242 |
Chemical Identifiers
| CAS Number | 339101-21-2 |
|---|---|
| SMILES | COC(=O)CCCNC1=C(C=CC=N1)[N+](=O)[O-] |
Product Overview
Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate (CAS 339101-21-2), with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol. IUPAC: methyl 4-[(3-nitro-2-pyridinyl)amino]butanoate.
Chemical Property Profile of Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate
Property Insights of Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate
The XLogP value of 1.3549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate. Following Lipinski's Rule of Five, Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate has 1 hydrogen bond donor(s) and 6 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 Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate?
The CAS number of Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate is 339101-21-2.
What is the molecular formula of Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate?
The molecular formula of Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate is C10H13N3O4.
What is the molecular weight of Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate?
The molecular weight of Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate is 239.09 g/mol.
Where can I buy Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate?
You can request a quote for Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(3-nitropyridin-2-yl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.