RefChem:536436
TL;DR: RefChem:536436 (CAS 69898-61-9) is a chemical compound with molecular formula C32H34N2O5 and molecular weight 526.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methylindol-3-yl)-3-oxo-2-benzofuran-5-carboxylic acid
Also Known As: 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1h-indol-3-yl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid, 5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-, 3-(2-Ethoxy-4-(diethylamino)phenyl)-3-(1-ethyl-2-methylindol-3-yl)-1,3-dihydro-1-oxo-6-isobenzofurancarboxylic acid, 5-Isobenzofurancarboxylic acid, 1-(4-(diethylamino)-2-ethoxyphenyl)-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1h-indol-3-yl)-1,3-dihydro-3-oxoisobenzo[b]furan-5-carboxylic acid
| Molecular Formula | C32H34N2O5 |
|---|---|
| Molecular Weight | 526.25 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.24677 |
| Heavy Atoms | 39 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 69898-61-9 |
|---|---|
| SMILES | CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC)C |
| InChIKey | ZVCONXWQMXMVHR-UHFFFAOYSA-N |
Product Overview
RefChem:536436 (CAS 69898-61-9), with molecular formula C32H34N2O5 and molecular weight 526.25 g/mol. IUPAC: 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methylindol-3-yl)-3-oxo-2-benzofuran-5-carboxylic acid.
Chemical Property Profile of RefChem:536436
Property Insights of RefChem:536436
The XLogP value of 6.0 indicates that RefChem:536436 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:536436. Following Lipinski's Rule of Five, RefChem:536436 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:536436?
The CAS number of RefChem:536436 is 69898-61-9.
What is the molecular formula of RefChem:536436?
The molecular formula of RefChem:536436 is C32H34N2O5.
What is the molecular weight of RefChem:536436?
The molecular weight of RefChem:536436 is 526.25 g/mol.
Where can I buy RefChem:536436?
You can request a quote for RefChem:536436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:536436?
Yes, KEHONG BIO provides custom synthesis services for RefChem:536436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.