ChemDiv1_012641
TL;DR: ChemDiv1_012641 (CAS 310449-46-8) is a chemical compound with molecular formula C25H20F3N5O2S2 and molecular weight 543.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
Also Known As: ChemDiv1_012641, F0721-1054, N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide, N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide, N-({5-{[2-(2,3-DIHYDRO-1H-INDOL-1-YL)-2-OXOETHYL]SULFANYL}-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL}METHYL)-2-THIOPHENECARBOXAMIDE
| Molecular Formula | C25H20F3N5O2S2 |
|---|---|
| Molecular Weight | 543.10 g/mol |
| LogP | 4.959 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.1011 |
| Heavy Atoms | 37 |
| Complexity | 1436.3623 |
Chemical Identifiers
| CAS Number | 310449-46-8 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)CNC(=O)C5=CC=CS5 |
Product Overview
ChemDiv1_012641 (CAS 310449-46-8), with molecular formula C25H20F3N5O2S2 and molecular weight 543.10 g/mol. IUPAC: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_012641
Property Insights of ChemDiv1_012641
The XLogP value of 4.959 indicates that ChemDiv1_012641 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012641. Following Lipinski's Rule of Five, ChemDiv1_012641 has 1 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_012641?
The CAS number of ChemDiv1_012641 is 310449-46-8.
What is the molecular formula of ChemDiv1_012641?
The molecular formula of ChemDiv1_012641 is C25H20F3N5O2S2.
What is the molecular weight of ChemDiv1_012641?
The molecular weight of ChemDiv1_012641 is 543.10 g/mol.
Where can I buy ChemDiv1_012641?
You can request a quote for ChemDiv1_012641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012641?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.