RefChem:408838
TL;DR: RefChem:408838 (CAS 52941-80-7) is a chemical compound with molecular formula C29H31Cl4N3O2 and molecular weight 593.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one
Also Known As: 1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-2-methylphenyl]-, 3-(2,4-Bis(dimethylamino)phenyl)-4,5,6,7-tetrachloro-3-(4-(diethylamino)-o-tolyl)phthalide, 1(3H)-Isobenzofuranone, 3-(2,4-bis(dimethylamino)phenyl)-4,5,6,7-tetrachloro-3-(4-(diethylamino)-2-methylphenyl)-, 3-(2,4-Bis(dimethylamino)phenyl)-4,5,6,7-tetrachloro-3-(4-(diethylamino)-2-methylphenyl)-1(3H)-isobenzofuranone, 3-[2,4-bis phenyl]-4,5,6,7-tetrachloro-3-[4-o-tolyl]phthalide
| Molecular Formula | C29H31Cl4N3O2 |
|---|---|
| Molecular Weight | 593.12 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 595.1141 |
| Heavy Atoms | 38 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 52941-80-7 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C4=C(C=C(C=C4)N(C)C)N(C)C)C |
| InChIKey | LZWSYWIGDLCLBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:408838 (CAS 52941-80-7), with molecular formula C29H31Cl4N3O2 and molecular weight 593.12 g/mol. IUPAC: 3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one.
Chemical Property Profile of RefChem:408838
Property Insights of RefChem:408838
The XLogP value of 8.5 indicates that RefChem:408838 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.0 Ų, RefChem:408838 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:408838 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 RefChem:408838?
The CAS number of RefChem:408838 is 52941-80-7.
What is the molecular formula of RefChem:408838?
The molecular formula of RefChem:408838 is C29H31Cl4N3O2.
What is the molecular weight of RefChem:408838?
The molecular weight of RefChem:408838 is 593.12 g/mol.
Where can I buy RefChem:408838?
You can request a quote for RefChem:408838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:408838?
Yes, KEHONG BIO provides custom synthesis services for RefChem:408838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.