![ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate structure](/static/products/4450/445032-72-4.webp)
ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
TL;DR: ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 445032-72-4) is a chemical compound with molecular formula C25H26BrNO6 and molecular weight 515.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
| Molecular Formula | C25H26BrNO6 |
|---|---|
| Molecular Weight | 515.09 g/mol |
| LogP | 5.1115 |
| Topological Polar Surface Area | 100.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.09436 |
| Heavy Atoms | 33 |
| Complexity | 1159.1519 |
Chemical Identifiers
| CAS Number | 445032-72-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC=C(O3)COC4=CC(=CC=C4)Br)C(=O)CC(C2)(C)C)N |
Product Overview
ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 445032-72-4), with molecular formula C25H26BrNO6 and molecular weight 515.09 g/mol. IUPAC: ethyl 2-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Property Insights of ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
The XLogP value of 5.1115 indicates that ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The CAS number of ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 445032-72-4.
What is the molecular formula of ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular formula of ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is C25H26BrNO6.
What is the molecular weight of ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular weight of ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 515.09 g/mol.
Where can I buy ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
You can request a quote for ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.