J96.780G
TL;DR: J96.780G (CAS 101831-56-5) is a chemical compound with molecular formula C30H31Br2NO3 and molecular weight 611.0671 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,5-dibromo-4-[2-(diethylamino)ethoxy]phenyl]-[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-yl]methanone
Also Known As: 3,5-Dibromo-4-[2-(diethylamino)ethoxy]phenyl 2-(2,4,6-trimethylphenyl)-3-benzofuranyl ketone, KETONE, 3,5-DIBROMO-4-(2-(DIETHYLAMINO)ETHOXY)PHENYL 2-MESITYL-3-BENZOFURANYL, (2-{2,6-dibromo-4-[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-carbonyl]phenoxy}ethyl)diethylamine, [3,5-dibromo-4-(2-diethylaminoethyloxy)phenyl]-[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-yl]methanone, {3,5-dibromo-4-[2-(diethylamino)ethoxy]phenyl}[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-yl]methanone
Technical Specifications
| Molecular Formula | C30H31Br2NO3 |
| Molecular Weight | 611.0671 g/mol |
| XLogP | 8.5 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 613.065 Da |
| Heavy Atoms | 36 |
| Complexity | 694.0 |
| SMILES | CCN(CC)CCOC1=C(C=C(C=C1Br)C(=O)C2=C(OC3=CC=CC=C32)C4=C(C=C(C=C4C)C)C)Br |
| InChIKey | SBPHBTOJZMNRFL-UHFFFAOYSA-N |
Chemical Property Profile of J96.780G
Property Insights of J96.780G
The XLogP value of 8.5 indicates that J96.780G is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, J96.780G exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J96.780G has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of J96.780G?
The CAS number of J96.780G is 101831-56-5.
What is the molecular formula of J96.780G?
The molecular formula of J96.780G is C30H31Br2NO3.
What is the molecular weight of J96.780G?
The molecular weight of J96.780G is 611.0671 g/mol.
Where can I buy J96.780G?
You can request a quote for J96.780G directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for J96.780G?
Yes, CoreyChem provides custom synthesis services for J96.780G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.