4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid
TL;DR: 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid (CAS 123743-84-0) is a chemical compound with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[methyl(nitroso)amino]-4-pyridin-3-ylbutanoic acid
Also Known As: Iso-NNAC, 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid, gamma-(Methylnitrosoamino)-3-pyridinebutanoic acid, 3-Pyridinebutanoic acid, gamma-(methylnitrosoamino)-, 4-[methyl(nitroso)amino]-4-pyridin-3-ylbutanoic acid
| Molecular Formula | C10H13N3O3 |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.09569 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 123743-84-0 |
|---|---|
| SMILES | CN(C(CCC(=O)O)C1=CN=CC=C1)N=O |
| InChIKey | NZSNJPDBPMIBSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid (CAS 123743-84-0), with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol. IUPAC: 4-[methyl(nitroso)amino]-4-pyridin-3-ylbutanoic acid.
Chemical Property Profile of 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid
Property Insights of 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid. Following Lipinski's Rule of Five, 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid 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 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid?
The CAS number of 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid is 123743-84-0.
What is the molecular formula of 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid?
The molecular formula of 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid is C10H13N3O3.
What is the molecular weight of 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid?
The molecular weight of 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid is 223.10 g/mol.
Where can I buy 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid?
You can request a quote for 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.