RefChem:408839
TL;DR: RefChem:408839 (CAS 52830-74-7) is a chemical compound with molecular formula C28H34N4O2 and molecular weight 458.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,4-bis(dimethylamino)phenyl]-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
Also Known As: 3-(2,4-Bis(dimethylamino)phenyl)-6-(dimethylamino)-3-(4-(dimethylamino)phenyl)phthalide, 1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-, 1(3H)-Isobenzofuranone, 3-(2,4-bis(dimethylamino)phenyl)-6-(dimethylamino)-3-(4-(dimethylamino)phenyl)-, 3-(2,4-bis[dimethylamino]phenyl)-3-(4-dimethylaminophenyl)-6-dimethylaminophthalide, 3-[2,4-bis(dimethylamino)phenyl]-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]phthalide
| Molecular Formula | C28H34N4O2 |
|---|---|
| Molecular Weight | 458.27 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.2682 |
| Heavy Atoms | 34 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 52830-74-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=C(C=C(C=C4)N(C)C)N(C)C |
| InChIKey | WVSPCAHHSFSZOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:408839 (CAS 52830-74-7), with molecular formula C28H34N4O2 and molecular weight 458.27 g/mol. IUPAC: 3-[2,4-bis(dimethylamino)phenyl]-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one.
Chemical Property Profile of RefChem:408839
Property Insights of RefChem:408839
The XLogP value of 5.0 indicates that RefChem:408839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, RefChem:408839 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:408839 has 0 hydrogen bond donor(s) and 6 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 RefChem:408839?
The CAS number of RefChem:408839 is 52830-74-7.
What is the molecular formula of RefChem:408839?
The molecular formula of RefChem:408839 is C28H34N4O2.
What is the molecular weight of RefChem:408839?
The molecular weight of RefChem:408839 is 458.27 g/mol.
Where can I buy RefChem:408839?
You can request a quote for RefChem:408839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:408839?
Yes, KEHONG BIO provides custom synthesis services for RefChem:408839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.