![[(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate structure](/static/products/871/871561-80-7.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate (CAS 871561-80-7) is a chemical compound with molecular formula C23H21N3O4 and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
Also Known As: starbld0002642, [(1-cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate, [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate, 2-((1-Cyanocyclohexyl)amino)-2-oxoethyl 3-phenylbenzo[c]isoxazole-5-carboxylate
| Molecular Formula | C23H21N3O4 |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 3.99428 |
| Topological Polar Surface Area | 105.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.1532 |
| Heavy Atoms | 30 |
| Complexity | 1108.4287 |
Chemical Identifiers
| CAS Number | 871561-80-7 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4 |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate (CAS 871561-80-7), with molecular formula C23H21N3O4 and molecular weight 403.15 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate
The XLogP value of 3.99428 indicates that [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.22 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-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 [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate is 871561-80-7.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate is C23H21N3O4.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate is 403.15 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-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)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-phenyl-2,1-benzoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.