ChemDiv1_014306
TL;DR: ChemDiv1_014306 (CAS 389072-85-9) is a chemical compound with molecular formula C21H19N5O4S2 and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide
Also Known As: ChemDiv1_014306, F0509-2475, 4-methyl-3-nitro-N-(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide, N-(5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide, N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide
| Molecular Formula | C21H19N5O4S2 |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 4.07852 |
| Topological Polar Surface Area | 118.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.08786 |
| Heavy Atoms | 32 |
| Complexity | 1196.438 |
Chemical Identifiers
| CAS Number | 389072-85-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)N3CCCC4=CC=CC=C43)[N+](=O)[O-] |
Product Overview
ChemDiv1_014306 (CAS 389072-85-9), with molecular formula C21H19N5O4S2 and molecular weight 469.09 g/mol. IUPAC: N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of ChemDiv1_014306
Property Insights of ChemDiv1_014306
The XLogP value of 4.07852 indicates that ChemDiv1_014306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014306. Following Lipinski's Rule of Five, ChemDiv1_014306 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014306?
The CAS number of ChemDiv1_014306 is 389072-85-9.
What is the molecular formula of ChemDiv1_014306?
The molecular formula of ChemDiv1_014306 is C21H19N5O4S2.
What is the molecular weight of ChemDiv1_014306?
The molecular weight of ChemDiv1_014306 is 469.09 g/mol.
Where can I buy ChemDiv1_014306?
You can request a quote for ChemDiv1_014306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014306?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.