![ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate structure](/static/products/5913/5913-12-2.webp)
ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate
TL;DR: ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate (CAS 5913-12-2) is a chemical compound with molecular formula C22H18N2O5 and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate
Also Known As: ChemDiv1_021953, BAS 01842365, ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate, J2.939.600K, Ethyl 3-amino-1-(3-nitrophenyl)-1H-naphtho[2,1-b]pyran-2-carboxylate
| Molecular Formula | C22H18N2O5 |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 4.0057 |
| Topological Polar Surface Area | 104.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.12158 |
| Heavy Atoms | 29 |
| Complexity | 1168.8313 |
Chemical Identifiers
| CAS Number | 5913-12-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4C=C2)N |
Product Overview
ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate (CAS 5913-12-2), with molecular formula C22H18N2O5 and molecular weight 390.12 g/mol. IUPAC: ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate.
Chemical Property Profile of ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate
Property Insights of ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate
The XLogP value of 4.0057 indicates that ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate has 1 hydrogen bond donor(s) and 6 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 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate?
The CAS number of ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate is 5913-12-2.
What is the molecular formula of ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate?
The molecular formula of ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate is C22H18N2O5.
What is the molecular weight of ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate?
The molecular weight of ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate is 390.12 g/mol.
Where can I buy ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate?
You can request a quote for ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.