Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate
TL;DR: Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate (CAS 70026-91-4) is a chemical compound with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate
Also Known As: ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate, ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carbo, Ethyl 5-[(benzoylcarbamothioyl)amino]-2-methylpyridine-4-carboxylate, RefChem:344175
| Molecular Formula | C17H17N3O3S |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 2.69352 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.09906 |
| Heavy Atoms | 24 |
| Complexity | 762.931 |
Chemical Identifiers
| CAS Number | 70026-91-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=NC(=C1)C)NC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate (CAS 70026-91-4), with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol. IUPAC: ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate.
Chemical Property Profile of Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate
Property Insights of Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate
The XLogP value of 2.69352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate has 2 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 Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate?
The CAS number of Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate is 70026-91-4.
What is the molecular formula of Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate?
The molecular formula of Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate is C17H17N3O3S.
What is the molecular weight of Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate?
The molecular weight of Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate is 343.10 g/mol.
Where can I buy Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate?
You can request a quote for Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.