F0507-4672
TL;DR: F0507-4672 (CAS 391939-45-0) is a chemical compound with molecular formula C27H25Cl2N5O2S and molecular weight 553.11 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-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide
Also Known As: F0507-4672, N-((4-(3,4-dichlorophenyl)-5-((2-oxo-2-(m-tolylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-3,4-dimethylbenzamide, N-{[4-(3,4-dichlorophenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide, N-[[4-(3,4-dichlorophenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide, N-{[4-(3,4-dichlorophenyl)-5-[(N-m-tolylcarbamoyl)methylthio]-4H-1,2,4-triazol-3-yl]methyl}-o-4-xylenecarboxamide
| Molecular Formula | C27H25Cl2N5O2S |
|---|---|
| Molecular Weight | 553.11 g/mol |
| LogP | 6.16016 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 553.1106 |
| Heavy Atoms | 37 |
| Complexity | 1471.1844 |
Chemical Identifiers
| CAS Number | 391939-45-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CNC(=O)C4=CC(=C(C=C4)C)C |
Product Overview
F0507-4672 (CAS 391939-45-0), with molecular formula C27H25Cl2N5O2S and molecular weight 553.11 g/mol. IUPAC: N-[[4-(3,4-dichlorophenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide.
Chemical Property Profile of F0507-4672
Property Insights of F0507-4672
The XLogP value of 6.16016 indicates that F0507-4672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-4672. Following Lipinski's Rule of Five, F0507-4672 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0507-4672?
The CAS number of F0507-4672 is 391939-45-0.
What is the molecular formula of F0507-4672?
The molecular formula of F0507-4672 is C27H25Cl2N5O2S.
What is the molecular weight of F0507-4672?
The molecular weight of F0507-4672 is 553.11 g/mol.
Where can I buy F0507-4672?
You can request a quote for F0507-4672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-4672?
Yes, KEHONG BIO provides custom synthesis services for F0507-4672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.