![[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate structure](/static/products/849/849014-27-3.png)
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate
TL;DR: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate (CAS 849014-27-3) is a chemical compound with molecular formula C24H28N4O4 and molecular weight 436.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate, [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
| Molecular Formula | C24H28N4O4 |
|---|---|
| Molecular Weight | 436.21 g/mol |
| LogP | 2.96458 |
| Topological Polar Surface Area | 105.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.21106 |
| Heavy Atoms | 32 |
| Complexity | 1141.119 |
Chemical Identifiers
| CAS Number | 849014-27-3 |
|---|---|
| SMILES | CN(C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2)C4(CCCCC4)C#N |
Product Overview
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate (CAS 849014-27-3), with molecular formula C24H28N4O4 and molecular weight 436.21 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate.
Chemical Property Profile of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate
Property Insights of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate
The XLogP value of 2.96458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate. The TPSA of 105.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate has 0 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 [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate?
The CAS number of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate is 849014-27-3.
What is the molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate?
The molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate is C24H28N4O4.
What is the molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate?
The molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate is 436.21 g/mol.
Where can I buy [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate?
You can request a quote for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.