RefChem:536444
TL;DR: RefChem:536444 (CAS 69898-63-1) is a chemical compound with molecular formula C48H66N2O5 and molecular weight 750.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 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-, hexadecyl ester, 5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-ethoxyphenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-, hexadecyl ester, Hexadecyl 3-(4-(diethylamino)-2-ethoxyphenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylate, hexadecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate, hexadecyl3-[4- -2-ethoxyphenyl]-3- -1,3-dihydro-1-oxoisobenzofuran-5-carboxylate
| Molecular Formula | C48H66N2O5 |
|---|---|
| Molecular Weight | 750.50 g/mol |
| LogP | 14.1 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Exact Mass | 750.4972 |
| Heavy Atoms | 55 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 69898-63-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=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 | FGRUXJLXBWXXGP-UHFFFAOYSA-N |
Product Overview
RefChem:536444 (CAS 69898-63-1), with molecular formula C48H66N2O5 and molecular weight 750.50 g/mol. IUPAC: hexadecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methylindol-3-yl)-1-oxo-2-benzofuran-5-carboxylate.
Chemical Property Profile of RefChem:536444
Property Insights of RefChem:536444
The XLogP value of 14.1 indicates that RefChem:536444 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:536444. Following Lipinski's Rule of Five, RefChem:536444 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:536444?
The CAS number of RefChem:536444 is 69898-63-1.
What is the molecular formula of RefChem:536444?
The molecular formula of RefChem:536444 is C48H66N2O5.
What is the molecular weight of RefChem:536444?
The molecular weight of RefChem:536444 is 750.50 g/mol.
Where can I buy RefChem:536444?
You can request a quote for RefChem:536444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:536444?
Yes, KEHONG BIO provides custom synthesis services for RefChem:536444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.