![[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate structure](/static/products/876/876870-65-4.png)
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
TL;DR: [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate (CAS 876870-65-4) is a chemical compound with molecular formula C17H20ClN3O4 and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
Also Known As: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate|[(1-CYANOCYCLOHEXYL)CARBAMOYL]METHYL 4-AMINO-5-CHLORO-2-METHOXYBENZOATE|EN300-26687165
| Molecular Formula | C17H20ClN3O4 |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 2.43028 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.11423 |
| Heavy Atoms | 25 |
| Complexity | 708.5799 |
Chemical Identifiers
| CAS Number | 876870-65-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)OCC(=O)NC2(CCCCC2)C#N)Cl)N |
Product Overview
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate (CAS 876870-65-4), with molecular formula C17H20ClN3O4 and molecular weight 365.11 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate.
Chemical Property Profile of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
Property Insights of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
The XLogP value of 2.43028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate. Following Lipinski's Rule of Five, [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate has 2 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] 4-amino-5-chloro-2-methoxybenzoate?
The CAS number of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate is 876870-65-4.
What is the molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
The molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate is C17H20ClN3O4.
What is the molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
The molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate is 365.11 g/mol.
Where can I buy [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
You can request a quote for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate 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] 4-amino-5-chloro-2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.