3,3-Bis(4-(dimethylamino)phenyl)phthalide
TL;DR: 3,3-Bis(4-(dimethylamino)phenyl)phthalide (CAS 5339-80-0) is a chemical compound with molecular formula C24H24N2O2 and molecular weight 372.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
Also Known As: 3,3-Bis(4-(dimethylamino)phenyl)phthalide, ChemDiv1_018826, DivK1c_003610, ISO012, NIOSH/TI3688000
| Molecular Formula | C24H24N2O2 |
|---|---|
| Molecular Weight | 372.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.18378 |
| Heavy Atoms | 28 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 5339-80-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N(C)C |
| InChIKey | QUINKWASVQHVID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Bis(4-(dimethylamino)phenyl)phthalide (CAS 5339-80-0), with molecular formula C24H24N2O2 and molecular weight 372.18 g/mol. IUPAC: 3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one.
Chemical Property Profile of 3,3-Bis(4-(dimethylamino)phenyl)phthalide
Property Insights of 3,3-Bis(4-(dimethylamino)phenyl)phthalide
The XLogP value of 4.6 indicates that 3,3-Bis(4-(dimethylamino)phenyl)phthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 3,3-Bis(4-(dimethylamino)phenyl)phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(4-(dimethylamino)phenyl)phthalide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-Bis(4-(dimethylamino)phenyl)phthalide?
The CAS number of 3,3-Bis(4-(dimethylamino)phenyl)phthalide is 5339-80-0.
What is the molecular formula of 3,3-Bis(4-(dimethylamino)phenyl)phthalide?
The molecular formula of 3,3-Bis(4-(dimethylamino)phenyl)phthalide is C24H24N2O2.
What is the molecular weight of 3,3-Bis(4-(dimethylamino)phenyl)phthalide?
The molecular weight of 3,3-Bis(4-(dimethylamino)phenyl)phthalide is 372.18 g/mol.
Where can I buy 3,3-Bis(4-(dimethylamino)phenyl)phthalide?
You can request a quote for 3,3-Bis(4-(dimethylamino)phenyl)phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(4-(dimethylamino)phenyl)phthalide?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(4-(dimethylamino)phenyl)phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.