J3.161.819C
TL;DR: J3.161.819C (CAS 311318-15-7) is a chemical compound with molecular formula C24H21Br2N3O and molecular weight 525.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: J3.161.819C, 2-Amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 1,4-Bis(4-bromophenyl)-2-amino-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C24H21Br2N3O |
|---|---|
| Molecular Weight | 525.01 g/mol |
| LogP | 6.15248 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 525.0051 |
| Heavy Atoms | 30 |
| Complexity | 1122.5361 |
Chemical Identifiers
| CAS Number | 311318-15-7 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1)C |
Product Overview
J3.161.819C (CAS 311318-15-7), with molecular formula C24H21Br2N3O and molecular weight 525.01 g/mol. IUPAC: 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of J3.161.819C
Property Insights of J3.161.819C
The XLogP value of 6.15248 indicates that J3.161.819C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.161.819C. Following Lipinski's Rule of Five, J3.161.819C has 1 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 J3.161.819C?
The CAS number of J3.161.819C is 311318-15-7.
What is the molecular formula of J3.161.819C?
The molecular formula of J3.161.819C is C24H21Br2N3O.
What is the molecular weight of J3.161.819C?
The molecular weight of J3.161.819C is 525.01 g/mol.
Where can I buy J3.161.819C?
You can request a quote for J3.161.819C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.161.819C?
Yes, KEHONG BIO provides custom synthesis services for J3.161.819C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.