RefChem:536446
TL;DR: RefChem:536446 (CAS 7356-91-4) is a chemical compound with molecular formula C34H34N2O6 and molecular weight 566.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-anilino-2-ethoxy-4-methylphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-2-benzofuran-5-carboxylic acid
Also Known As: O-Methyliso Urea Tosylate Salt, 3-(5-anilino-2-ethoxy-4-methylphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid, 5-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-hydroxyphenyl]-3-[2-ethoxy-4-methyl-5-(phenylamino)phenyl]-1,3-dihydro-1-oxo-, 3-(4-(Diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-4-methyl-5-(phenylamino)phenyl)-1-oxo-1,3-dihydroisobenzofuran-5-carboxylic acid, 3-(5-anilino-2-ethoxy-4-methylphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-2-benzofuran-5-carboxylic acid
| Molecular Formula | C34H34N2O6 |
|---|---|
| Molecular Weight | 566.24 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.2417 |
| Heavy Atoms | 42 |
| Complexity | 922.0 |
Chemical Identifiers
| CAS Number | 7356-91-4 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C(C(=C4)NC5=CC=CC=C5)C)OCC)O |
| InChIKey | HHRJYJYCVVVXJZ-UHFFFAOYSA-N |
Product Overview
RefChem:536446 (CAS 7356-91-4), with molecular formula C34H34N2O6 and molecular weight 566.24 g/mol. IUPAC: 3-(5-anilino-2-ethoxy-4-methylphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-2-benzofuran-5-carboxylic acid.
Chemical Property Profile of RefChem:536446
Property Insights of RefChem:536446
The XLogP value of 6.8 indicates that RefChem:536446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:536446. Following Lipinski's Rule of Five, RefChem:536446 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:536446?
The CAS number of RefChem:536446 is 7356-91-4.
What is the molecular formula of RefChem:536446?
The molecular formula of RefChem:536446 is C34H34N2O6.
What is the molecular weight of RefChem:536446?
The molecular weight of RefChem:536446 is 566.24 g/mol.
Where can I buy RefChem:536446?
You can request a quote for RefChem:536446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:536446?
Yes, KEHONG BIO provides custom synthesis services for RefChem:536446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.