![[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate structure](/static/products/871/871305-00-9.png)
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
TL;DR: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate (CAS 871305-00-9) is a chemical compound with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
Also Known As: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate|[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 8-METHOXY-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXYLATE|EN300-26687969
| Molecular Formula | C18H20N2O6 |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 1.57578 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.13214 |
| Heavy Atoms | 26 |
| Complexity | 731.53357 |
Chemical Identifiers
| CAS Number | 871305-00-9 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NC3(CCCC3)C#N |
Product Overview
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate (CAS 871305-00-9), with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol. IUPAC: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate.
Chemical Property Profile of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
Property Insights of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
The XLogP value of 1.57578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate. Following Lipinski's Rule of Five, [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate has 1 hydrogen bond donor(s) and 7 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-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?
The CAS number of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate is 871305-00-9.
What is the molecular formula of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?
The molecular formula of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate is C18H20N2O6.
What is the molecular weight of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?
The molecular weight of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate is 360.13 g/mol.
Where can I buy [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?
You can request a quote for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-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-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.