Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate
TL;DR: Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate (CAS 76357-77-2) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(dimethylamino)-2-phenylazirine-2-carboxylate
Also Known As: methyl 3-(dimethylamino)-2-phenylazirine-2-carboxylate, Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate, Methyl 3-(dimethylamino)-2-phenyl-2H-azirine-2-carboxylate
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 76357-77-2 |
|---|---|
| SMILES | CN(C)C1=NC1(C2=CC=CC=C2)C(=O)OC |
| InChIKey | MRVHHWUYPSPDTQ-UHFFFAOYSA-N |
Product Overview
Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate (CAS 76357-77-2), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: methyl 3-(dimethylamino)-2-phenylazirine-2-carboxylate.
Chemical Property Profile of Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate
Property Insights of Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate. With a topological polar surface area (TPSA) of 41.9 Ų, Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate?
The CAS number of Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate is 76357-77-2.
What is the molecular formula of Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate?
The molecular formula of Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate is C12H14N2O2.
What is the molecular weight of Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate?
The molecular weight of Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate is 218.11 g/mol.
Where can I buy Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate?
You can request a quote for Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-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-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(dimethylamino)-2-phenyl-2H-azirene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.