ChemDiv3_012119
TL;DR: ChemDiv3_012119 (CAS 864922-92-9) is a chemical compound with molecular formula C17H13ClN2O2S2 and molecular weight 376.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone
Also Known As: ChemDiv3_012119, BRD-K31529568-001-01-8, F0698-0520, 1-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}ethan-1-one, 1-(4-chlorophenyl)-2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
| Molecular Formula | C17H13ClN2O2S2 |
|---|---|
| Molecular Weight | 376.01 g/mol |
| LogP | 4.8421 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.0107 |
| Heavy Atoms | 24 |
| Complexity | 832.5567 |
Chemical Identifiers
| CAS Number | 864922-92-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NSC(=N2)SCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
ChemDiv3_012119 (CAS 864922-92-9), with molecular formula C17H13ClN2O2S2 and molecular weight 376.01 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone.
Chemical Property Profile of ChemDiv3_012119
Property Insights of ChemDiv3_012119
The XLogP value of 4.8421 indicates that ChemDiv3_012119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, ChemDiv3_012119 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_012119 has 0 hydrogen bond donor(s) and 6 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_012119?
The CAS number of ChemDiv3_012119 is 864922-92-9.
What is the molecular formula of ChemDiv3_012119?
The molecular formula of ChemDiv3_012119 is C17H13ClN2O2S2.
What is the molecular weight of ChemDiv3_012119?
The molecular weight of ChemDiv3_012119 is 376.01 g/mol.
Where can I buy ChemDiv3_012119?
You can request a quote for ChemDiv3_012119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012119?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.