3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide
TL;DR: 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide (CAS 5394-59-2) is a chemical compound with molecular formula C29H35N3O2 and molecular weight 457.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,3-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one
Also Known As: 4-(2,5-Dimethylphenyl)-4-oxobutanoic acid, 3-[2,3-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1(3h)-one, 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide, 3-[2,3-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 3-(2,4-bis(dimethylamino)phenyl)-3-(4-(diethylamino)-2-methylphenyl)-
| Molecular Formula | C29H35N3O2 |
|---|---|
| Molecular Weight | 457.27 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.27292 |
| Heavy Atoms | 34 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 5394-59-2 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C(=CC=C4)N(C)C)N(C)C)C |
| InChIKey | AQZWDNQWFXEMFU-UHFFFAOYSA-N |
Product Overview
3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide (CAS 5394-59-2), with molecular formula C29H35N3O2 and molecular weight 457.27 g/mol. IUPAC: 3-[2,3-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one.
Chemical Property Profile of 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide
Property Insights of 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide
The XLogP value of 6.0 indicates that 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.0 Ų, 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide 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 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide?
The CAS number of 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide is 5394-59-2.
What is the molecular formula of 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide?
The molecular formula of 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide is C29H35N3O2.
What is the molecular weight of 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide?
The molecular weight of 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide is 457.27 g/mol.
Where can I buy 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide?
You can request a quote for 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)-o-tolyl)phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.