(2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate
TL;DR: (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate (CAS 252914-63-9) is a chemical compound with molecular formula C9H10ClN3O2S and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1-amino-2-chloroethylidene)amino] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate, [(1-amino-2-chloroethylidene)amino] 2-methylsulfanylpyridine-3-carboxylate, 2-chloro-N'-({[2-(methylthio)pyridin-3-yl]carbonyl}oxy)ethanimidamide, [(E)-(1-amino-2-chloroethylidene)amino] 2-methylsulfanylpyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 2-(methylthio)-, (2-chloro-1-iminoethyl)azanyl ester
| Molecular Formula | C9H10ClN3O2S |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.01822 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 252914-63-9 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)ON=C(CCl)N |
| InChIKey | YQRICNFHGXHCRW-UHFFFAOYSA-N |
Product Overview
(2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate (CAS 252914-63-9), with molecular formula C9H10ClN3O2S and molecular weight 259.02 g/mol. IUPAC: [(1-amino-2-chloroethylidene)amino] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate
Property Insights of (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate. Following Lipinski's Rule of Five, (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate has 1 hydrogen bond donor(s) and 5 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 (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate?
The CAS number of (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate is 252914-63-9.
What is the molecular formula of (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate?
The molecular formula of (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate is C9H10ClN3O2S.
What is the molecular weight of (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate?
The molecular weight of (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate is 259.02 g/mol.
Where can I buy (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate?
You can request a quote for (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-1-iminoethyl)azanyl 2-(methylthio)-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.