F0508-0102
TL;DR: F0508-0102 (CAS 391942-52-2) is a chemical compound with molecular formula C23H21ClN8O4S3 and molecular weight 604.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3-chlorophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide
Also Known As: F0508-0102, N-((4-(3-chlorophenyl)-5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-methyl-3-nitrobenzamide, N-[[4-(3-chlorophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide, N-{[4-(3-chlorophenyl)-5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
| Molecular Formula | C23H21ClN8O4S3 |
|---|---|
| Molecular Weight | 604.05 g/mol |
| LogP | 4.76162 |
| Topological Polar Surface Area | 157.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 604.05365 |
| Heavy Atoms | 39 |
| Complexity | 1526.7776 |
Chemical Identifiers
| CAS Number | 391942-52-2 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CNC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C |
Product Overview
F0508-0102 (CAS 391942-52-2), with molecular formula C23H21ClN8O4S3 and molecular weight 604.05 g/mol. IUPAC: N-[[4-(3-chlorophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of F0508-0102
Property Insights of F0508-0102
The XLogP value of 4.76162 indicates that F0508-0102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.83 Ų indicates high polarity, suggesting F0508-0102 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0508-0102 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0508-0102?
The CAS number of F0508-0102 is 391942-52-2.
What is the molecular formula of F0508-0102?
The molecular formula of F0508-0102 is C23H21ClN8O4S3.
What is the molecular weight of F0508-0102?
The molecular weight of F0508-0102 is 604.05 g/mol.
Where can I buy F0508-0102?
You can request a quote for F0508-0102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0508-0102?
Yes, KEHONG BIO provides custom synthesis services for F0508-0102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.