![methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate structure](/static/products/928/92885-40-0.png)
methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate
TL;DR: methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate (CAS 92885-40-0) is a chemical compound with molecular formula C20H21ClN2O7 and molecular weight 436.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
Also Known As: methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate, methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-, Methyl 3-(4-chlorophenyl)-5,6-bis({[(methylamino)carbonyl]oxy}methyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate, Methyl 3-(4-chlorophenyl)-5,6-bis{[(methylcarbamoyl)oxy]methyl}-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
| Molecular Formula | C20H21ClN2O7 |
|---|---|
| Molecular Weight | 436.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 436.10373 |
| Heavy Atoms | 30 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 92885-40-0 |
|---|---|
| SMILES | CNC(=O)OCC1=C(C2C(=C(C1O2)C3=CC=C(C=C3)Cl)C(=O)OC)COC(=O)NC |
| InChIKey | GSWWHOPYIUGNCK-UHFFFAOYSA-N |
Product Overview
methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate (CAS 92885-40-0), with molecular formula C20H21ClN2O7 and molecular weight 436.10 g/mol. IUPAC: methyl 3-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate.
Chemical Property Profile of methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate
Property Insights of methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-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 methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-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 methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate?
The CAS number of methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate is 92885-40-0.
What is the molecular formula of methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate?
The molecular formula of methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate is C20H21ClN2O7.
What is the molecular weight of methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate?
The molecular weight of methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate is 436.10 g/mol.
Where can I buy methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate?
You can request a quote for methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-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 methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-chlorophenyl)-5,6-bis(methylcarbamoyloxymethyl)-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.