ChemDiv1_009489
TL;DR: ChemDiv1_009489 (CAS 441783-92-2) is a chemical compound with molecular formula C22H22BrN3O2S2 and molecular weight 503.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-bromo-2-pyridinyl)-2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Also Known As: ChemDiv1_009489, Salor-int l219770-1ea, N-(5-BROMO-2-PYRIDINYL)-2-METHYL-4-[5-METHYL-2-(METHYLSULFANYL)-3-THIENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, 648-357-7, N-(5-BROMO-2-PYRIDINYL)-2-METHYL-4-(5-METHYL-2-(METHYLSULFANYL)-3-THIENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
| Molecular Formula | C22H22BrN3O2S2 |
|---|---|
| Molecular Weight | 503.03 g/mol |
| LogP | 5.54252 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.0337 |
| Heavy Atoms | 30 |
| Complexity | 1086.3022 |
Chemical Identifiers
| CAS Number | 441783-92-2 |
|---|---|
| SMILES | CC1=CC(=C(S1)SC)C2C3=C(CCCC3=O)NC(=C2C(=O)NC4=NC=C(C=C4)Br)C |
Product Overview
ChemDiv1_009489 (CAS 441783-92-2), with molecular formula C22H22BrN3O2S2 and molecular weight 503.03 g/mol. IUPAC: N-(5-bromo-2-pyridinyl)-2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
Chemical Property Profile of ChemDiv1_009489
Property Insights of ChemDiv1_009489
The XLogP value of 5.54252 indicates that ChemDiv1_009489 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009489. Following Lipinski's Rule of Five, ChemDiv1_009489 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009489?
The CAS number of ChemDiv1_009489 is 441783-92-2.
What is the molecular formula of ChemDiv1_009489?
The molecular formula of ChemDiv1_009489 is C22H22BrN3O2S2.
What is the molecular weight of ChemDiv1_009489?
The molecular weight of ChemDiv1_009489 is 503.03 g/mol.
Where can I buy ChemDiv1_009489?
You can request a quote for ChemDiv1_009489 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009489?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.