F0508-4954
TL;DR: F0508-4954 (CAS 312920-13-1) is a chemical compound with molecular formula C24H21Cl2N5O3S and molecular weight 529.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3,4-dichlorophenyl)-5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: F0508-4954, N-{[4-(3,4-dichlorophenyl)-5-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide, N-((4-(3,4-dichlorophenyl)-5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-[[4-(3,4-dichlorophenyl)-5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C24H21Cl2N5O3S |
|---|---|
| Molecular Weight | 529.07 g/mol |
| LogP | 5.44474 |
| Topological Polar Surface Area | 102.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.0742 |
| Heavy Atoms | 35 |
| Complexity | 1371.7491 |
Chemical Identifiers
| CAS Number | 312920-13-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CNC(=O)C4=CC=CO4 |
Product Overview
F0508-4954 (CAS 312920-13-1), with molecular formula C24H21Cl2N5O3S and molecular weight 529.07 g/mol. IUPAC: N-[[4-(3,4-dichlorophenyl)-5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of F0508-4954
Property Insights of F0508-4954
The XLogP value of 5.44474 indicates that F0508-4954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.05 Ų falls within the moderate polarity range, balancing permeability and solubility for F0508-4954. Following Lipinski's Rule of Five, F0508-4954 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0508-4954?
The CAS number of F0508-4954 is 312920-13-1.
What is the molecular formula of F0508-4954?
The molecular formula of F0508-4954 is C24H21Cl2N5O3S.
What is the molecular weight of F0508-4954?
The molecular weight of F0508-4954 is 529.07 g/mol.
Where can I buy F0508-4954?
You can request a quote for F0508-4954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0508-4954?
Yes, KEHONG BIO provides custom synthesis services for F0508-4954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.