F0772-0523
TL;DR: F0772-0523 (CAS 309968-45-4) is a chemical compound with molecular formula C29H29N7O5S3 and molecular weight 651.1392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
Also Known As: F0772-0523, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide, N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dimethylsulfamoyl)benzamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
Technical Specifications
| Molecular Formula | C29H29N7O5S3 |
| Molecular Weight | 651.1392 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 210.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 651.1392 Da |
| Heavy Atoms | 44 |
| Complexity | 1060.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N(C)C |
| InChIKey | NPNHAUSSQDQTPT-UHFFFAOYSA-N |
Chemical Property Profile of F0772-0523
Property Insights of F0772-0523
The XLogP value of 3.9 indicates that F0772-0523 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.0 Ų indicates high polarity, suggesting F0772-0523 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0772-0523 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of F0772-0523?
The CAS number of F0772-0523 is 309968-45-4.
What is the molecular formula of F0772-0523?
The molecular formula of F0772-0523 is C29H29N7O5S3.
What is the molecular weight of F0772-0523?
The molecular weight of F0772-0523 is 651.1392 g/mol.
Where can I buy F0772-0523?
You can request a quote for F0772-0523 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F0772-0523?
Yes, CoreyChem provides custom synthesis services for F0772-0523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.