4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
TL;DR: 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide (CAS 41621-86-7) is a chemical compound with molecular formula C30H24Cl4N2O2 and molecular weight 584.06 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(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one
Also Known As: EINECS 255-465-4, 4,5,6,7-Tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide, 3,3-BIS(1-ETHYL-2-METHYL-3-INDOLYL)-4,5,6,7-TETRACHLOROPHTHALIDE, 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one, 4,5,6,7-TETRACHLORO-3,3-BIS(1-ETHYL-2-METHYL-1H-INDOL-3-YL)-1(3H)-ISOBENZOFURANONE
| Molecular Formula | C30H24Cl4N2O2 |
|---|---|
| Molecular Weight | 584.06 g/mol |
| LogP | 9.32854 |
| Topological Polar Surface Area | 36.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 584.0592 |
| Heavy Atoms | 38 |
| Complexity | 1727.1747 |
Chemical Identifiers
| CAS Number | 41621-86-7 |
|---|---|
| SMILES | CCN1C(=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)CC)C)C |
Product Overview
4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide (CAS 41621-86-7), with molecular formula C30H24Cl4N2O2 and molecular weight 584.06 g/mol. IUPAC: 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one.
Chemical Property Profile of 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
Property Insights of 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
The XLogP value of 9.32854 indicates that 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.16 Ų, 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide 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 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide?
The CAS number of 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide is 41621-86-7.
What is the molecular formula of 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide?
The molecular formula of 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide is C30H24Cl4N2O2.
What is the molecular weight of 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide?
The molecular weight of 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide is 584.06 g/mol.
Where can I buy 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide?
You can request a quote for 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.