![[(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate structure](/static/products/871/871304-95-9.png)
[(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate
TL;DR: [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate (CAS 871304-95-9) is a chemical compound with molecular formula C16H17BrN2O4 and molecular weight 380.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
Also Known As: starbld0003658, [(1-cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate, [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate, 2-((1-Cyanocyclopentyl)amino)-2-oxoethyl 3-bromo-4-methoxybenzoate
| Molecular Formula | C16H17BrN2O4 |
|---|---|
| Molecular Weight | 380.04 g/mol |
| LogP | 2.56708 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.03717 |
| Heavy Atoms | 23 |
| Complexity | 647.9706 |
Chemical Identifiers
| CAS Number | 871304-95-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)Br |
Product Overview
[(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate (CAS 871304-95-9), with molecular formula C16H17BrN2O4 and molecular weight 380.04 g/mol. IUPAC: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate.
Chemical Property Profile of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate
Property Insights of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate
The XLogP value of 2.56708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate has 1 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 [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate?
The CAS number of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate is 871304-95-9.
What is the molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate?
The molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate is C16H17BrN2O4.
What is the molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate?
The molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate is 380.04 g/mol.
Where can I buy [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate?
You can request a quote for [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.