F0772-0501
TL;DR: F0772-0501 (CAS 309968-29-4) is a chemical compound with molecular formula C25H28N8O4S3 and molecular weight 600.14 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-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
Also Known As: F0772-0501, N-{[4-(2,5-dimethylphenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide, N-[[4-(2,5-dimethylphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide, 4-[(dimethylamino)sulfonyl]-N-{[4-(2,5-dimethylphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]methyl}benzamide, N-((4-(2,5-dimethylphenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dimethylsulfamoyl)benzamide
| Molecular Formula | C25H28N8O4S3 |
|---|---|
| Molecular Weight | 600.14 g/mol |
| LogP | 2.95516 |
| Topological Polar Surface Area | 152.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 600.1396 |
| Heavy Atoms | 40 |
| Complexity | 1646.6564 |
Chemical Identifiers
| CAS Number | 309968-29-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=NN=C(S3)C)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C |
Product Overview
F0772-0501 (CAS 309968-29-4), with molecular formula C25H28N8O4S3 and molecular weight 600.14 g/mol. IUPAC: N-[[4-(2,5-dimethylphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide.
Chemical Property Profile of F0772-0501
Property Insights of F0772-0501
The XLogP value of 2.95516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0772-0501. The TPSA of 152.07 Ų indicates high polarity, suggesting F0772-0501 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0772-0501 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0772-0501?
The CAS number of F0772-0501 is 309968-29-4.
What is the molecular formula of F0772-0501?
The molecular formula of F0772-0501 is C25H28N8O4S3.
What is the molecular weight of F0772-0501?
The molecular weight of F0772-0501 is 600.14 g/mol.
Where can I buy F0772-0501?
You can request a quote for F0772-0501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-0501?
Yes, KEHONG BIO provides custom synthesis services for F0772-0501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.