![methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate structure](/static/products/937/93725-46-3.png)
methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate
TL;DR: methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate (CAS 93725-46-3) is a chemical compound with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate
Also Known As: methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate, methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabi, 3,6,6-trimethyl-5-methylcarbamoyl-2,4-dioxo-3-aza-bicyclo[3.1.0]hexane-1-carboxylic acid methyl ester, methyl 3,6,6-trimethyl-1-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-5-carboxylate
| Molecular Formula | C12H16N2O5 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.10593 |
| Heavy Atoms | 19 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 93725-46-3 |
|---|---|
| SMILES | CC1(C2(C1(C(=O)N(C2=O)C)C(=O)OC)C(=O)NC)C |
| InChIKey | GGIMBLJCWPQVHH-UHFFFAOYSA-N |
Product Overview
methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate (CAS 93725-46-3), with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol. IUPAC: methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate.
Chemical Property Profile of methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate
Property Insights of methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate. Following Lipinski's Rule of Five, methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate 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 methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The CAS number of methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate is 93725-46-3.
What is the molecular formula of methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The molecular formula of methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate is C12H16N2O5.
What is the molecular weight of methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The molecular weight of methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate is 268.11 g/mol.
Where can I buy methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate?
You can request a quote for methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,6,6-trimethyl-5-(methylcarbamoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.