J1.648.713I
TL;DR: J1.648.713I (CAS 144036-26-0) is a chemical compound with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: J1.648.713I, ethyl 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, ethyl 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate, 2-Amino-4-(3-nitrophenyl)-5-oxo-7,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylic acid ethyl ester, 4-(3-Nitrophenyl)-2-amino-5-oxo-7,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylic acid ethyl ester
| Molecular Formula | C20H22N2O6 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 3.0852 |
| Topological Polar Surface Area | 121.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.1478 |
| Heavy Atoms | 28 |
| Complexity | 928.37854 |
Chemical Identifiers
| CAS Number | 144036-26-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CC(C2)(C)C)N |
Product Overview
J1.648.713I (CAS 144036-26-0), with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol. IUPAC: ethyl 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of J1.648.713I
Property Insights of J1.648.713I
The XLogP value of 3.0852 indicates that J1.648.713I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.76 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.648.713I. Following Lipinski's Rule of Five, J1.648.713I has 1 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 J1.648.713I?
The CAS number of J1.648.713I is 144036-26-0.
What is the molecular formula of J1.648.713I?
The molecular formula of J1.648.713I is C20H22N2O6.
What is the molecular weight of J1.648.713I?
The molecular weight of J1.648.713I is 386.15 g/mol.
Where can I buy J1.648.713I?
You can request a quote for J1.648.713I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.648.713I?
Yes, KEHONG BIO provides custom synthesis services for J1.648.713I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.