F0772-0589
TL;DR: F0772-0589 (CAS 309968-54-5) is a chemical compound with molecular formula C31H34N6O5S2 and molecular weight 634.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2,5-dimethylphenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
Also Known As: F0772-0589, N-((4-(2,5-dimethylphenyl)-5-((2-oxo-2-(m-tolylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide, N-[[4-(2,5-dimethylphenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide, N-{[4-(2,5-dimethylphenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
| Molecular Formula | C31H34N6O5S2 |
|---|---|
| Molecular Weight | 634.20 g/mol |
| LogP | 3.87426 |
| Topological Polar Surface Area | 135.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 634.2032 |
| Heavy Atoms | 44 |
| Complexity | 1766.5437 |
Chemical Identifiers
| CAS Number | 309968-54-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)C)C)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 |
Product Overview
F0772-0589 (CAS 309968-54-5), with molecular formula C31H34N6O5S2 and molecular weight 634.20 g/mol. IUPAC: N-[[4-(2,5-dimethylphenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of F0772-0589
Property Insights of F0772-0589
The XLogP value of 3.87426 indicates that F0772-0589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.52 Ų falls within the moderate polarity range, balancing permeability and solubility for F0772-0589. Following Lipinski's Rule of Five, F0772-0589 has 2 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 F0772-0589?
The CAS number of F0772-0589 is 309968-54-5.
What is the molecular formula of F0772-0589?
The molecular formula of F0772-0589 is C31H34N6O5S2.
What is the molecular weight of F0772-0589?
The molecular weight of F0772-0589 is 634.20 g/mol.
Where can I buy F0772-0589?
You can request a quote for F0772-0589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-0589?
Yes, KEHONG BIO provides custom synthesis services for F0772-0589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.