![dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth structure](/static/products/6258/62587-50-2.webp)
dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth
TL;DR: dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth (CAS 62587-50-2) is a chemical compound with molecular formula C17H24BrNO6 and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]ethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylate
Also Known As: dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth, dimethyl 1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]ethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylate
| Molecular Formula | C17H24BrNO6 |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.0787 |
| Heavy Atoms | 25 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 62587-50-2 |
|---|---|
| SMILES | COC(=O)C1=CCCCN(C=C1C(=O)OC)CCC2OCC(O2)CBr |
| InChIKey | AUEHNRUMIFHQKN-UHFFFAOYSA-N |
Product Overview
dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth (CAS 62587-50-2), with molecular formula C17H24BrNO6 and molecular weight 417.08 g/mol. IUPAC: dimethyl 1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]ethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylate.
Chemical Property Profile of dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth
Property Insights of dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth. Following Lipinski's Rule of Five, dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth has 0 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 dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth?
The CAS number of dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth is 62587-50-2.
What is the molecular formula of dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth?
The molecular formula of dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth is C17H24BrNO6.
What is the molecular weight of dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth?
The molecular weight of dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth is 417.08 g/mol.
Where can I buy dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth?
You can request a quote for dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (5E,7E)-1-[2-[4-(bromomethyl)-1,3-dioxolan-2-yl]eth and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.