ChemDiv3_006411
TL;DR: ChemDiv3_006411 (CAS 690961-41-2) is a chemical compound with molecular formula C18H14ClN5OS2 and molecular weight 415.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
Also Known As: ChemDiv3_006411, CBKinase1_004573, CBKinase1_016973, IDI1_024321, VU0618199-1
| Molecular Formula | C18H14ClN5OS2 |
|---|---|
| Molecular Weight | 415.03 g/mol |
| LogP | 4.47282 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.03284 |
| Heavy Atoms | 27 |
| Complexity | 1027.2216 |
Chemical Identifiers
| CAS Number | 690961-41-2 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)NC2=NSC(=N2)C3=CC=C(C=C3)Cl)C |
Product Overview
ChemDiv3_006411 (CAS 690961-41-2), with molecular formula C18H14ClN5OS2 and molecular weight 415.03 g/mol. IUPAC: N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv3_006411
Property Insights of ChemDiv3_006411
The XLogP value of 4.47282 indicates that ChemDiv3_006411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006411. Following Lipinski's Rule of Five, ChemDiv3_006411 has 1 hydrogen bond donor(s) and 7 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 ChemDiv3_006411?
The CAS number of ChemDiv3_006411 is 690961-41-2.
What is the molecular formula of ChemDiv3_006411?
The molecular formula of ChemDiv3_006411 is C18H14ClN5OS2.
What is the molecular weight of ChemDiv3_006411?
The molecular weight of ChemDiv3_006411 is 415.03 g/mol.
Where can I buy ChemDiv3_006411?
You can request a quote for ChemDiv3_006411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006411?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.