ChemDiv1_009267
TL;DR: ChemDiv1_009267 (CAS 441783-22-8) is a chemical compound with molecular formula C22H20BrN3OS and molecular weight 453.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv1_009267, 2-Amino-1-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(3-BROMOPHENYL)-4-(2,5-DIMETHYL-3-THIENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 647-813-2
| Molecular Formula | C22H20BrN3OS |
|---|---|
| Molecular Weight | 453.05 g/mol |
| LogP | 5.43222 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.05106 |
| Heavy Atoms | 28 |
| Complexity | 1089.4418 |
Chemical Identifiers
| CAS Number | 441783-22-8 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)Br)N)C#N |
Product Overview
ChemDiv1_009267 (CAS 441783-22-8), with molecular formula C22H20BrN3OS and molecular weight 453.05 g/mol. IUPAC: 2-amino-1-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_009267
Property Insights of ChemDiv1_009267
The XLogP value of 5.43222 indicates that ChemDiv1_009267 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_009267. Following Lipinski's Rule of Five, ChemDiv1_009267 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_009267?
The CAS number of ChemDiv1_009267 is 441783-22-8.
What is the molecular formula of ChemDiv1_009267?
The molecular formula of ChemDiv1_009267 is C22H20BrN3OS.
What is the molecular weight of ChemDiv1_009267?
The molecular weight of ChemDiv1_009267 is 453.05 g/mol.
Where can I buy ChemDiv1_009267?
You can request a quote for ChemDiv1_009267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009267?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.