ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate
TL;DR: ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate (CAS 145030-71-3) is a chemical compound with molecular formula C19H19Br2NO4 and molecular weight 482.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate
Also Known As: BIM-0007068.P001, AH-262/34226045, ethyl 3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)-2-butenoate, ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate, ethyl (Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate
| Molecular Formula | C19H19Br2NO4 |
|---|---|
| Molecular Weight | 482.97 g/mol |
| LogP | 4.7067 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.96808 |
| Heavy Atoms | 26 |
| Complexity | 835.1779 |
Chemical Identifiers
| CAS Number | 145030-71-3 |
|---|---|
| SMILES | CCOC(=O)/C(=C(/C)\NCC1=CC=CC=C1)/C2=C(C(=C(C=C2O)Br)O)Br |
Product Overview
ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate (CAS 145030-71-3), with molecular formula C19H19Br2NO4 and molecular weight 482.97 g/mol. IUPAC: ethyl (Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate.
Chemical Property Profile of ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate
Property Insights of ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate
The XLogP value of 4.7067 indicates that ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate. Following Lipinski's Rule of Five, ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate has 3 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 ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate?
The CAS number of ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate is 145030-71-3.
What is the molecular formula of ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate?
The molecular formula of ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate is C19H19Br2NO4.
What is the molecular weight of ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate?
The molecular weight of ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate is 482.97 g/mol.
Where can I buy ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate?
You can request a quote for ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-3-(benzylamino)-2-(2,4-dibromo-3,6-dihydroxyphenyl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.