Einecs 244-147-0
TL;DR: Einecs 244-147-0 (CAS 21016-19-3) is a chemical compound with molecular formula C49H43ClO6 and molecular weight 762.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-8-[5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene perchlorate
Also Known As: 1,4-Dihydroxy-2-benzylanthraquinone, 6-methyl-8-[5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene perchlorate, 1-Benzopyrylium, 8-(5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene)-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate (1:1), 1-Benzopyrylium, 8-(5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadienylidene)-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate, 1-Benzopyrylium, 8-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate (1:1)
| Molecular Formula | C49H43ClO6 |
|---|---|
| Molecular Weight | 762.27 g/mol |
| LogP | 8.43 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 762.27484 |
| Heavy Atoms | 56 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 21016-19-3 |
|---|---|
| SMILES | CC1CC(=C2C(=C(C=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C1)C=CC=CC=C5CC(CC6=C5[O+]=C(C=C6C7=CC=CC=C7)C8=CC=CC=C8)C.[O-]Cl(=O)(=O)=O |
| InChIKey | XOVPRRKXGIHBEJ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Einecs 244-147-0 (CAS 21016-19-3), with molecular formula C49H43ClO6 and molecular weight 762.27 g/mol. IUPAC: 6-methyl-8-[5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene perchlorate.
Chemical Property Profile of Einecs 244-147-0
Property Insights of Einecs 244-147-0
The XLogP value of 8.43 indicates that Einecs 244-147-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 244-147-0. Following Lipinski's Rule of Five, Einecs 244-147-0 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 244-147-0?
The CAS number of Einecs 244-147-0 is 21016-19-3.
What is the molecular formula of Einecs 244-147-0?
The molecular formula of Einecs 244-147-0 is C49H43ClO6.
What is the molecular weight of Einecs 244-147-0?
The molecular weight of Einecs 244-147-0 is 762.27 g/mol.
Where can I buy Einecs 244-147-0?
You can request a quote for Einecs 244-147-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 244-147-0?
Yes, KEHONG BIO provides custom synthesis services for Einecs 244-147-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.