RefChem:536445
TL;DR: RefChem:536445 (CAS 69898-65-3) is a chemical compound with molecular formula C46H62N2O5 and molecular weight 722.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetradecyl 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-, tetradecyl ester, 3-(2-Ethoxy-4-(diethylamino)phenyl)-3-(1-ethyl-2-methylindol-3-yl)-1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid, tetradecyl ester, 5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-ethoxyphenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-, tetradecyl ester, tetradecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate, tetradecyl3-[4- -2-ethoxyphenyl]-3- -1,3-dihydro-1-oxoisobenzofuran-5-carboxylate
| Molecular Formula | C46H62N2O5 |
|---|---|
| Molecular Weight | 722.47 g/mol |
| LogP | 13.0 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 23 |
| Exact Mass | 722.4659 |
| Heavy Atoms | 53 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 69898-65-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2(C3=C(C=C(C=C3)N(CC)CC)OCC)C4=C(N(C5=CC=CC=C54)CC)C |
| InChIKey | GURBNRZOMYIYBU-UHFFFAOYSA-N |
Product Overview
RefChem:536445 (CAS 69898-65-3), with molecular formula C46H62N2O5 and molecular weight 722.47 g/mol. IUPAC: tetradecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methylindol-3-yl)-1-oxo-2-benzofuran-5-carboxylate.
Chemical Property Profile of RefChem:536445
Property Insights of RefChem:536445
The XLogP value of 13.0 indicates that RefChem:536445 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:536445. Following Lipinski's Rule of Five, RefChem:536445 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:536445?
The CAS number of RefChem:536445 is 69898-65-3.
What is the molecular formula of RefChem:536445?
The molecular formula of RefChem:536445 is C46H62N2O5.
What is the molecular weight of RefChem:536445?
The molecular weight of RefChem:536445 is 722.47 g/mol.
Where can I buy RefChem:536445?
You can request a quote for RefChem:536445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:536445?
Yes, KEHONG BIO provides custom synthesis services for RefChem:536445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.