RefChem:408851
TL;DR: RefChem:408851 (CAS 50293-91-9) is a chemical compound with molecular formula C42H48Cl4N2O2 and molecular weight 752.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
Also Known As: 4,5,6,7-tetrachloro-3,3-bis phthalide, 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-, 3,3-Bis(N-octyl-2-methylindol-3-yl)-4,5,6,7-tetrachlorophthalide, 4,5,6,7-Tetrachloro-3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)phthalide, 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
| Molecular Formula | C42H48Cl4N2O2 |
|---|---|
| Molecular Weight | 752.25 g/mol |
| LogP | 14.7 |
| Topological Polar Surface Area | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 752.247 |
| Heavy Atoms | 50 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 50293-91-9 |
|---|---|
| SMILES | CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C |
| InChIKey | PSGMBHLSJFAHLW-UHFFFAOYSA-N |
Product Overview
RefChem:408851 (CAS 50293-91-9), with molecular formula C42H48Cl4N2O2 and molecular weight 752.25 g/mol. IUPAC: 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one.
Chemical Property Profile of RefChem:408851
Property Insights of RefChem:408851
The XLogP value of 14.7 indicates that RefChem:408851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.2 Ų, RefChem:408851 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:408851 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:408851?
The CAS number of RefChem:408851 is 50293-91-9.
What is the molecular formula of RefChem:408851?
The molecular formula of RefChem:408851 is C42H48Cl4N2O2.
What is the molecular weight of RefChem:408851?
The molecular weight of RefChem:408851 is 752.25 g/mol.
Where can I buy RefChem:408851?
You can request a quote for RefChem:408851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:408851?
Yes, KEHONG BIO provides custom synthesis services for RefChem:408851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.