J3.542.049E
TL;DR: J3.542.049E (CAS 496969-61-0) is a chemical compound with molecular formula C21H19NO4 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Also Known As: J3.542.049E, (E)-7-(2-(hydroxyimino)-2-(p-tolyl)ethoxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one, 7-[2-(hydroxyimino)-2-(4-methylphenyl)ethoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one, 7-[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one, 7-[2-(Hydroxyimino)-2-(4-methylphenyl)ethoxy]-1,2-dihydrocyclopenta[c][1]benzopyran-4(3H)-one
| Molecular Formula | C21H19NO4 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 3.84742 |
| Topological Polar Surface Area | 72.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.1314 |
| Heavy Atoms | 26 |
| Complexity | 1048.0344 |
Chemical Identifiers
| CAS Number | 496969-61-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=N\O)/COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3 |
Product Overview
J3.542.049E (CAS 496969-61-0), with molecular formula C21H19NO4 and molecular weight 349.13 g/mol. IUPAC: 7-[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
Chemical Property Profile of J3.542.049E
Property Insights of J3.542.049E
The XLogP value of 3.84742 indicates that J3.542.049E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.03 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.542.049E. Following Lipinski's Rule of Five, J3.542.049E has 1 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 J3.542.049E?
The CAS number of J3.542.049E is 496969-61-0.
What is the molecular formula of J3.542.049E?
The molecular formula of J3.542.049E is C21H19NO4.
What is the molecular weight of J3.542.049E?
The molecular weight of J3.542.049E is 349.13 g/mol.
Where can I buy J3.542.049E?
You can request a quote for J3.542.049E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.542.049E?
Yes, KEHONG BIO provides custom synthesis services for J3.542.049E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.