![[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate structure](/static/products/878/878091-97-5.png)
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
TL;DR: [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate (CAS 878091-97-5) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
Also Known As: [(1-CYANOCYCLOHEXYL)CARBAMOYL]METHYL 2-(PHENYLSULFANYL)PYRIDINE-3-CARBOXYLATE|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate|EN300-26688417
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.73228 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 873.9646 |
Chemical Identifiers
| CAS Number | 878091-97-5 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3 |
Product Overview
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate (CAS 878091-97-5), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
Property Insights of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
The XLogP value of 3.73228 indicates that [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate. Following Lipinski's Rule of Five, [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate 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 [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate?
The CAS number of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate is 878091-97-5.
What is the molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate?
The molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate is C21H21N3O3S.
What is the molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate?
The molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate is 395.13 g/mol.
Where can I buy [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate?
You can request a quote for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.