RefChem:448502
TL;DR: RefChem:448502 (CAS 477332-84-6) is a chemical compound with molecular formula C22H17BrFN5OS and molecular weight 497.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Also Known As: CBKinase1_003970, CBKinase1_016370, 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide, BRD-K91793935-001-01-3, 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide
| Molecular Formula | C22H17BrFN5OS |
|---|---|
| Molecular Weight | 497.03 g/mol |
| LogP | 5.27012 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.03214 |
| Heavy Atoms | 31 |
| Complexity | 1214.5657 |
Chemical Identifiers
| CAS Number | 477332-84-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4)F |
Product Overview
RefChem:448502 (CAS 477332-84-6), with molecular formula C22H17BrFN5OS and molecular weight 497.03 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide.
Chemical Property Profile of RefChem:448502
Property Insights of RefChem:448502
The XLogP value of 5.27012 indicates that RefChem:448502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448502. Following Lipinski's Rule of Five, RefChem:448502 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:448502?
The CAS number of RefChem:448502 is 477332-84-6.
What is the molecular formula of RefChem:448502?
The molecular formula of RefChem:448502 is C22H17BrFN5OS.
What is the molecular weight of RefChem:448502?
The molecular weight of RefChem:448502 is 497.03 g/mol.
Where can I buy RefChem:448502?
You can request a quote for RefChem:448502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448502?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.