ChemDiv3_006384
TL;DR: ChemDiv3_006384 (CAS 690643-13-1) is a chemical compound with molecular formula C19H12ClN3O3S2 and molecular weight 429.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone
Also Known As: ChemDiv3_006384, IDI1_024294, VU0618216-1, F3394-0744, BRD-K20646238-001-01-3
| Molecular Formula | C19H12ClN3O3S2 |
|---|---|
| Molecular Weight | 429.00 g/mol |
| LogP | 4.8149 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.00085 |
| Heavy Atoms | 28 |
| Complexity | 1187.0824 |
Chemical Identifiers
| CAS Number | 690643-13-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C4N3C(=CS4)C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv3_006384 (CAS 690643-13-1), with molecular formula C19H12ClN3O3S2 and molecular weight 429.00 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of ChemDiv3_006384
Property Insights of ChemDiv3_006384
The XLogP value of 4.8149 indicates that ChemDiv3_006384 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006384. Following Lipinski's Rule of Five, ChemDiv3_006384 has 0 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_006384?
The CAS number of ChemDiv3_006384 is 690643-13-1.
What is the molecular formula of ChemDiv3_006384?
The molecular formula of ChemDiv3_006384 is C19H12ClN3O3S2.
What is the molecular weight of ChemDiv3_006384?
The molecular weight of ChemDiv3_006384 is 429.00 g/mol.
Where can I buy ChemDiv3_006384?
You can request a quote for ChemDiv3_006384 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006384?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006384 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.