![(1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid structure](/static/products/7179/71799-70-7.webp)
(1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid
TL;DR: (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid (CAS 71799-70-7) is a chemical compound with molecular formula C33H32N2O6 and molecular weight 552.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid
Also Known As: (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid, 5-Isobenzofurancarboxylic acid, 1-(4-(diethylamino)-2-hydroxyphenyl)-1-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-3-oxo-, 5-Isobenzofurancarboxylic acid,1-(4-(diethylamino)-2-hydroxyphenyl)-1-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-3-oxo
| Molecular Formula | C33H32N2O6 |
|---|---|
| Molecular Weight | 552.23 g/mol |
| LogP | 6.5412 |
| Topological Polar Surface Area | 108.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 552.226 |
| Heavy Atoms | 41 |
| Complexity | 1599.0991 |
Chemical Identifiers
| CAS Number | 71799-70-7 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)[C@@]2(C3=C(C=C(C=C3)C(=O)O)C(=O)O2)C4=C(C=CC(=C4)NC5=CC=CC=C5)OCC)O |
Product Overview
(1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid (CAS 71799-70-7), with molecular formula C33H32N2O6 and molecular weight 552.23 g/mol. IUPAC: (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid.
Chemical Property Profile of (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid
Property Insights of (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid
The XLogP value of 6.5412 indicates that (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid. Following Lipinski's Rule of Five, (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid has 3 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 (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid?
The CAS number of (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid is 71799-70-7.
What is the molecular formula of (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid?
The molecular formula of (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid is C33H32N2O6.
What is the molecular weight of (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid?
The molecular weight of (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid is 552.23 g/mol.
Where can I buy (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid?
You can request a quote for (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1S)-1-(5-anilino-2-ethoxyphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.