F0772-2111
TL;DR: F0772-2111 (CAS 310449-74-2) is a chemical compound with molecular formula C32H31F3N6O4S2 and molecular weight 684.18 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]-4-piperidin-1-ylsulfonylbenzamide
Also Known As: F0772-2111, N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(piperidin-1-ylsulfonyl)benzamide, 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]-4-(piperidine-1-sulfonyl)benzamide, N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
| Molecular Formula | C32H31F3N6O4S2 |
|---|---|
| Molecular Weight | 684.18 g/mol |
| LogP | 5.0721 |
| Topological Polar Surface Area | 117.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 684.18005 |
| Heavy Atoms | 47 |
| Complexity | 1891.1761 |
Chemical Identifiers
| CAS Number | 310449-74-2 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)SCC(=O)N5CCC6=CC=CC=C65 |
Product Overview
F0772-2111 (CAS 310449-74-2), with molecular formula C32H31F3N6O4S2 and molecular weight 684.18 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]-4-piperidin-1-ylsulfonylbenzamide.
Chemical Property Profile of F0772-2111
Property Insights of F0772-2111
The XLogP value of 5.0721 indicates that F0772-2111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.5 Ų falls within the moderate polarity range, balancing permeability and solubility for F0772-2111. Following Lipinski's Rule of Five, F0772-2111 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0772-2111?
The CAS number of F0772-2111 is 310449-74-2.
What is the molecular formula of F0772-2111?
The molecular formula of F0772-2111 is C32H31F3N6O4S2.
What is the molecular weight of F0772-2111?
The molecular weight of F0772-2111 is 684.18 g/mol.
Where can I buy F0772-2111?
You can request a quote for F0772-2111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-2111?
Yes, KEHONG BIO provides custom synthesis services for F0772-2111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.