CBKinase1_003464
TL;DR: CBKinase1_003464 (CAS 577990-57-9) is a chemical compound with molecular formula C16H13ClFN5OS and molecular weight 377.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_003464, CBKinase1_015864, BRD-K06924181-001-01-9, N-(3-chloro-4-fluorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-4-fluorophenyl)-2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)) acetamide
| Molecular Formula | C16H13ClFN5OS |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 3.4004 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.05133 |
| Heavy Atoms | 25 |
| Complexity | 902.79565 |
Chemical Identifiers
| CAS Number | 577990-57-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=NC=C3 |
Product Overview
CBKinase1_003464 (CAS 577990-57-9), with molecular formula C16H13ClFN5OS and molecular weight 377.05 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003464
Property Insights of CBKinase1_003464
The XLogP value of 3.4004 indicates that CBKinase1_003464 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 CBKinase1_003464. Following Lipinski's Rule of Five, CBKinase1_003464 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_003464?
The CAS number of CBKinase1_003464 is 577990-57-9.
What is the molecular formula of CBKinase1_003464?
The molecular formula of CBKinase1_003464 is C16H13ClFN5OS.
What is the molecular weight of CBKinase1_003464?
The molecular weight of CBKinase1_003464 is 377.05 g/mol.
Where can I buy CBKinase1_003464?
You can request a quote for CBKinase1_003464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003464?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.