![ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate structure](/static/products/928/92885-39-7.png)
ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate
TL;DR: ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate (CAS 92885-39-7) is a chemical compound with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,6-bis(methylcarbamoyloxymethyl)-3-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
Also Known As: ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate, ETHYL 5,6-BIS(METHYLCARBAMOYLOXYMETHYL)-3-PHENYL-7-OXABICYCLO[2.2.1]HEPTA-2,5-DIENE-2-CARBOXYLATE, Ethyl 5,6-bis{[(methylcarbamoyl)oxy]methyl}-3-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate, 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 5,6-bis[[[(methylamino)carbonyl]oxy]methyl]-3-phenyl-, ethyl ester, Ethyl 5,6-bis({[(methylamino)carbonyl]oxy}methyl)-3-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
| Molecular Formula | C21H24N2O7 |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 416.15836 |
| Heavy Atoms | 30 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 92885-39-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2C(=C(C1O2)COC(=O)NC)COC(=O)NC)C3=CC=CC=C3 |
| InChIKey | IBKDDKWHULHQAS-UHFFFAOYSA-N |
Product Overview
ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate (CAS 92885-39-7), with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol. IUPAC: ethyl 5,6-bis(methylcarbamoyloxymethyl)-3-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate.
Chemical Property Profile of ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate
Property Insights of ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate has 2 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 ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate?
The CAS number of ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate is 92885-39-7.
What is the molecular formula of ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate?
The molecular formula of ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate is C21H24N2O7.
What is the molecular weight of ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate?
The molecular weight of ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate is 416.16 g/mol.
Where can I buy ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate?
You can request a quote for ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5,6-bis(methylcarbamoyloxymethyl)-2-phenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.