RefChem:536443
TL;DR: RefChem:536443 (CAS 69898-66-4) is a chemical compound with molecular formula C34H38N2O5 and molecular weight 554.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methylindol-3-yl)-1-oxo-2-benzofuran-5-carboxylate
Also Known As: 5-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-, ethyl ester, 3-(2-Ethoxy-4-(diethylamino)phenyl)-3-(1-ethyl-2-methylindol-3-yl)-1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid, ethyl ester, 5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-ethoxyphenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-, ethyl ester, ethyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate, 3-[4-(Diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid ethyl ester
| Molecular Formula | C34H38N2O5 |
|---|---|
| Molecular Weight | 554.28 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 554.2781 |
| Heavy Atoms | 41 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 69898-66-4 |
|---|---|
| SMILES | CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=CC(=C4)C(=O)OCC)C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC)C |
| InChIKey | YKKDHRLYLZJUEY-UHFFFAOYSA-N |
Product Overview
RefChem:536443 (CAS 69898-66-4), with molecular formula C34H38N2O5 and molecular weight 554.28 g/mol. IUPAC: ethyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methylindol-3-yl)-1-oxo-2-benzofuran-5-carboxylate.
Chemical Property Profile of RefChem:536443
Property Insights of RefChem:536443
The XLogP value of 6.7 indicates that RefChem:536443 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:536443. Following Lipinski's Rule of Five, RefChem:536443 has 0 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:536443?
The CAS number of RefChem:536443 is 69898-66-4.
What is the molecular formula of RefChem:536443?
The molecular formula of RefChem:536443 is C34H38N2O5.
What is the molecular weight of RefChem:536443?
The molecular weight of RefChem:536443 is 554.28 g/mol.
Where can I buy RefChem:536443?
You can request a quote for RefChem:536443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:536443?
Yes, KEHONG BIO provides custom synthesis services for RefChem:536443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.