RefChem:448650
TL;DR: RefChem:448650 (CAS 540498-20-2) is a chemical compound with molecular formula C23H25Cl2N5OS and molecular weight 489.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
Also Known As: 2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide, 2-[(5-{[(3,4-dichlorophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-(propan-2-yl)acetamide, 2-((4-allyl-5-(((3,4-dichlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide, 2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide, 2-((4-Allyl-5-((3,4-dichloroanilino)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-isopropyl-N-phenylacetamide
| Molecular Formula | C23H25Cl2N5OS |
|---|---|
| Molecular Weight | 489.12 g/mol |
| LogP | 5.9167 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.1157 |
| Heavy Atoms | 32 |
| Complexity | 1071.5037 |
Chemical Identifiers
| CAS Number | 540498-20-2 |
|---|---|
| SMILES | CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=C(C=C3)Cl)Cl |
Product Overview
RefChem:448650 (CAS 540498-20-2), with molecular formula C23H25Cl2N5OS and molecular weight 489.12 g/mol. IUPAC: 2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
Chemical Property Profile of RefChem:448650
Property Insights of RefChem:448650
The XLogP value of 5.9167 indicates that RefChem:448650 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448650. Following Lipinski's Rule of Five, RefChem:448650 has 1 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 RefChem:448650?
The CAS number of RefChem:448650 is 540498-20-2.
What is the molecular formula of RefChem:448650?
The molecular formula of RefChem:448650 is C23H25Cl2N5OS.
What is the molecular weight of RefChem:448650?
The molecular weight of RefChem:448650 is 489.12 g/mol.
Where can I buy RefChem:448650?
You can request a quote for RefChem:448650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448650?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.