ChemDiv1_012639
TL;DR: ChemDiv1_012639 (CAS 310427-38-4) is a chemical compound with molecular formula C30H32N6O5S2 and molecular weight 620.19 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-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
Also Known As: ChemDiv1_012639, F0721-0768, 4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide, N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dimethylsulfamoyl)benzamide, N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
| Molecular Formula | C30H32N6O5S2 |
|---|---|
| Molecular Weight | 620.19 g/mol |
| LogP | 3.5277 |
| Topological Polar Surface Area | 126.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 620.18756 |
| Heavy Atoms | 43 |
| Complexity | 1737.954 |
Chemical Identifiers
| CAS Number | 310427-38-4 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)N4CCCC5=CC=CC=C54 |
Product Overview
ChemDiv1_012639 (CAS 310427-38-4), with molecular formula C30H32N6O5S2 and molecular weight 620.19 g/mol. IUPAC: N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide.
Chemical Property Profile of ChemDiv1_012639
Property Insights of ChemDiv1_012639
The XLogP value of 3.5277 indicates that ChemDiv1_012639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012639. Following Lipinski's Rule of Five, ChemDiv1_012639 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012639?
The CAS number of ChemDiv1_012639 is 310427-38-4.
What is the molecular formula of ChemDiv1_012639?
The molecular formula of ChemDiv1_012639 is C30H32N6O5S2.
What is the molecular weight of ChemDiv1_012639?
The molecular weight of ChemDiv1_012639 is 620.19 g/mol.
Where can I buy ChemDiv1_012639?
You can request a quote for ChemDiv1_012639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012639?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.