F0721-0781
TL;DR: F0721-0781 (CAS 394213-49-1) is a chemical compound with molecular formula C29H30N6O4S2 and molecular weight 590.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: F0721-0781, N-((5-((2-oxo-2-(m-tolylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide, N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
| Molecular Formula | C29H30N6O4S2 |
|---|---|
| Molecular Weight | 590.18 g/mol |
| LogP | 4.02102 |
| Topological Polar Surface Area | 126.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 590.177 |
| Heavy Atoms | 41 |
| Complexity | 1633.5396 |
Chemical Identifiers
| CAS Number | 394213-49-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 |
Product Overview
F0721-0781 (CAS 394213-49-1), with molecular formula C29H30N6O4S2 and molecular weight 590.18 g/mol. IUPAC: N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of F0721-0781
Property Insights of F0721-0781
The XLogP value of 4.02102 indicates that F0721-0781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F0721-0781. Following Lipinski's Rule of Five, F0721-0781 has 2 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 F0721-0781?
The CAS number of F0721-0781 is 394213-49-1.
What is the molecular formula of F0721-0781?
The molecular formula of F0721-0781 is C29H30N6O4S2.
What is the molecular weight of F0721-0781?
The molecular weight of F0721-0781 is 590.18 g/mol.
Where can I buy F0721-0781?
You can request a quote for F0721-0781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0721-0781?
Yes, KEHONG BIO provides custom synthesis services for F0721-0781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.