ChemDiv3_010320
TL;DR: ChemDiv3_010320 (CAS 847394-22-3) is a chemical compound with molecular formula C20H20FN7OS3 and molecular weight 489.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: ChemDiv3_010320, BRD-K61772004-001-01-9, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-((4-(4-fluorophenyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H20FN7OS3 |
|---|---|
| Molecular Weight | 489.09 g/mol |
| LogP | 4.03 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.08755 |
| Heavy Atoms | 32 |
| Complexity | 1202.2378 |
Chemical Identifiers
| CAS Number | 847394-22-3 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CN4C |
Product Overview
ChemDiv3_010320 (CAS 847394-22-3), with molecular formula C20H20FN7OS3 and molecular weight 489.09 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv3_010320
Property Insights of ChemDiv3_010320
The XLogP value of 4.03 indicates that ChemDiv3_010320 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010320. Following Lipinski's Rule of Five, ChemDiv3_010320 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 ChemDiv3_010320?
The CAS number of ChemDiv3_010320 is 847394-22-3.
What is the molecular formula of ChemDiv3_010320?
The molecular formula of ChemDiv3_010320 is C20H20FN7OS3.
What is the molecular weight of ChemDiv3_010320?
The molecular weight of ChemDiv3_010320 is 489.09 g/mol.
Where can I buy ChemDiv3_010320?
You can request a quote for ChemDiv3_010320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010320?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.