![1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- structure](/static/products/6769/67697-75-0.webp)
1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-
TL;DR: 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- (CAS 67697-75-0) is a chemical compound with molecular formula C44H56N2O2 and molecular weight 644.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)-2-benzofuran-1-one
Also Known As: 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-, 3-(Bis(4-octylphenyl)amino)-3-(4-(dimethylamino)phenyl)phthalide, 1(3H)-Isobenzofuranone, 3-(bis(4-octylphenyl)amino)-3-(4-(dimethylamino)phenyl)-, 3-[4-(dimethylamino)phenyl]-3-[bis(4-octylphenyl)-amino]phthalide, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]phthalide
| Molecular Formula | C44H56N2O2 |
|---|---|
| Molecular Weight | 644.43 g/mol |
| LogP | 14.6 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 644.4342 |
| Heavy Atoms | 48 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 67697-75-0 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCCCC)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)N(C)C |
| InChIKey | VHAKYQXQOXNMCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- (CAS 67697-75-0), with molecular formula C44H56N2O2 and molecular weight 644.43 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-
Property Insights of 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-
The XLogP value of 14.6 indicates that 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- has 0 hydrogen bond donor(s) and 4 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-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-?
The CAS number of 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- is 67697-75-0.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- is C44H56N2O2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- is 644.43 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- 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-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.