RefChem:449603
TL;DR: RefChem:449603 (CAS 618441-39-7) is a chemical compound with molecular formula C24H21ClN4O2S and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(anilinomethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: SALOR-INT L443549-1EA, 2-((4-(4-Chlorophenyl)-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone, 2-[[5-(anilinomethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone, 2-{[5-(ANILINOMETHYL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-METHOXYPHENYL)ETHANONE, 2-((5-(ANILINOMETHYL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-1-(4-METHOXYPHENYL)ETHANONE
| Molecular Formula | C24H21ClN4O2S |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 5.5164 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.10736 |
| Heavy Atoms | 32 |
| Complexity | 1179.117 |
Chemical Identifiers
| CAS Number | 618441-39-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CNC4=CC=CC=C4 |
Product Overview
RefChem:449603 (CAS 618441-39-7), with molecular formula C24H21ClN4O2S and molecular weight 464.11 g/mol. IUPAC: 2-[[5-(anilinomethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of RefChem:449603
Property Insights of RefChem:449603
The XLogP value of 5.5164 indicates that RefChem:449603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449603. Following Lipinski's Rule of Five, RefChem:449603 has 1 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 RefChem:449603?
The CAS number of RefChem:449603 is 618441-39-7.
What is the molecular formula of RefChem:449603?
The molecular formula of RefChem:449603 is C24H21ClN4O2S.
What is the molecular weight of RefChem:449603?
The molecular weight of RefChem:449603 is 464.11 g/mol.
Where can I buy RefChem:449603?
You can request a quote for RefChem:449603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449603?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.