methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate
TL;DR: methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate (CAS 75532-75-1) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate
Also Known As: methyl (5E,7E)-5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7, methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 75532-75-1 |
|---|---|
| SMILES | CN1CCCC(=CC(=C1)C(=O)OC)C(=O)N |
| InChIKey | LPLJGHBCLLUXDG-UHFFFAOYSA-N |
Product Overview
methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate (CAS 75532-75-1), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate.
Chemical Property Profile of methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate
Property Insights of methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate. Following Lipinski's Rule of Five, methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate has 1 hydrogen bond donor(s) and 4 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 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate?
The CAS number of methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate is 75532-75-1.
What is the molecular formula of methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate?
The molecular formula of methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate is C11H16N2O3.
What is the molecular weight of methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate?
The molecular weight of methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate is 224.12 g/mol.
Where can I buy methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate?
You can request a quote for methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-carbamoyl-1-methyl-3,4-dihydro-2H-azocine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.