J3.699.811C
TL;DR: J3.699.811C (CAS 82408-00-2) is a chemical compound with molecular formula C21H21BrN2O and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: J3.699.811C, AB00080849-01, 11-(4-bromophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-bromophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 11-(4-bromophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydrodibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C21H21BrN2O |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 5.671 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.08374 |
| Heavy Atoms | 25 |
| Complexity | 867.7197 |
Chemical Identifiers
| CAS Number | 82408-00-2 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)Br)C(=O)C1)C |
Product Overview
J3.699.811C (CAS 82408-00-2), with molecular formula C21H21BrN2O and molecular weight 396.08 g/mol. IUPAC: 6-(4-bromophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of J3.699.811C
Property Insights of J3.699.811C
The XLogP value of 5.671 indicates that J3.699.811C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, J3.699.811C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J3.699.811C has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J3.699.811C?
The CAS number of J3.699.811C is 82408-00-2.
What is the molecular formula of J3.699.811C?
The molecular formula of J3.699.811C is C21H21BrN2O.
What is the molecular weight of J3.699.811C?
The molecular weight of J3.699.811C is 396.08 g/mol.
Where can I buy J3.699.811C?
You can request a quote for J3.699.811C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.699.811C?
Yes, KEHONG BIO provides custom synthesis services for J3.699.811C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.