ChemDiv1_011643
TL;DR: ChemDiv1_011643 (CAS 309281-17-2) is a chemical compound with molecular formula C22H19BrFN3OS and molecular weight 471.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: ChemDiv1_011643, 2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, A2096/0088113, 2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C22H19BrFN3OS |
|---|---|
| Molecular Weight | 471.04 g/mol |
| LogP | 5.59058 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 471.04163 |
| Heavy Atoms | 29 |
| Complexity | 1111.5723 |
Chemical Identifiers
| CAS Number | 309281-17-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CSC=C4)C(=O)C1)C |
Product Overview
ChemDiv1_011643 (CAS 309281-17-2), with molecular formula C22H19BrFN3OS and molecular weight 471.04 g/mol. IUPAC: 2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_011643
Property Insights of ChemDiv1_011643
The XLogP value of 5.59058 indicates that ChemDiv1_011643 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 ChemDiv1_011643. Following Lipinski's Rule of Five, ChemDiv1_011643 has 1 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 ChemDiv1_011643?
The CAS number of ChemDiv1_011643 is 309281-17-2.
What is the molecular formula of ChemDiv1_011643?
The molecular formula of ChemDiv1_011643 is C22H19BrFN3OS.
What is the molecular weight of ChemDiv1_011643?
The molecular weight of ChemDiv1_011643 is 471.04 g/mol.
Where can I buy ChemDiv1_011643?
You can request a quote for ChemDiv1_011643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011643?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.