1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-
TL;DR: 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- (CAS 91825-06-8) is a chemical compound with molecular formula C34H36N2O2 and molecular weight 504.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
Also Known As: 3,3-Bis(1-butyl-2-methyl-1H-indol-3-yl)isobenzofuran-1(3H)-one, 3,3-bis phthalide, 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-, 3,3-bis(1-butyl-2-methylindol-3-yl)phthalide, 3,3-Bis(1-butyl-2-methyl-1H-indol-3-yl)phthalide
| Molecular Formula | C34H36N2O2 |
|---|---|
| Molecular Weight | 504.28 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.27768 |
| Heavy Atoms | 38 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 91825-06-8 |
|---|---|
| SMILES | CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C |
| InChIKey | JZEPXWWZAJGALH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- (CAS 91825-06-8), with molecular formula C34H36N2O2 and molecular weight 504.28 g/mol. IUPAC: 3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-
Property Insights of 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-
The XLogP value of 7.9 indicates that 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.2 Ų, 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- 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 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-?
The CAS number of 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- is 91825-06-8.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- is C34H36N2O2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- is 504.28 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.