(3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate
TL;DR: (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate (CAS 67524-89-4) is a chemical compound with molecular formula C16H12BrNO2 and molecular weight 329.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenyl-2H-azirin-2-yl)methyl 4-bromobenzoate
Also Known As: (3-phenyl-2H-azirin-2-yl)methyl 4-bromobenzoate, (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate
| Molecular Formula | C16H12BrNO2 |
|---|---|
| Molecular Weight | 329.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.00513 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 67524-89-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC2COC(=O)C3=CC=C(C=C3)Br |
| InChIKey | LEUVDHXHYMHISE-UHFFFAOYSA-N |
Product Overview
(3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate (CAS 67524-89-4), with molecular formula C16H12BrNO2 and molecular weight 329.01 g/mol. IUPAC: (3-phenyl-2H-azirin-2-yl)methyl 4-bromobenzoate.
Chemical Property Profile of (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate
Property Insights of (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate
The XLogP value of 3.9 indicates that (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate 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 (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate?
The CAS number of (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate is 67524-89-4.
What is the molecular formula of (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate?
The molecular formula of (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate is C16H12BrNO2.
What is the molecular weight of (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate?
The molecular weight of (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate is 329.01 g/mol.
Where can I buy (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate?
You can request a quote for (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenyl-2H-aziren-2-yl)methyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.