J96.780G
TL;DR: J96.780G (CAS 101831-56-5) is a chemical compound with molecular formula C30H31Br2NO3 and molecular weight 611.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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
| Molecular Formula | C30H31Br2NO3 |
|---|---|
| Molecular Weight | 611.07 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 613.065 |
| Heavy Atoms | 36 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 101831-56-5 |
|---|---|
| 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 |
Product Overview
J96.780G (CAS 101831-56-5), with molecular formula C30H31Br2NO3 and molecular weight 611.07 g/mol. IUPAC: [3,5-dibromo-4-[2-(diethylamino)ethoxy]phenyl]-[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-yl]methanone.
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
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 611.07 g/mol.
Where can I buy J96.780G?
You can request a quote for J96.780G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J96.780G?
Yes, KEHONG BIO provides custom synthesis services for J96.780G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.