ChemDiv1_002572
TL;DR: ChemDiv1_002572 (CAS 330210-18-9) is a chemical compound with molecular formula C18H16ClFN2O4S and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Also Known As: ChemDiv1_002572, UPCMLD0ENAT5978205:001, BAS 01108591, BIM-0036832.P001, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
| Molecular Formula | C18H16ClFN2O4S |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 4.8472 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.05032 |
| Heavy Atoms | 27 |
| Complexity | 905.6062 |
Chemical Identifiers
| CAS Number | 330210-18-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=C(C=CC=C3Cl)F |
Product Overview
ChemDiv1_002572 (CAS 330210-18-9), with molecular formula C18H16ClFN2O4S and molecular weight 410.05 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
Chemical Property Profile of ChemDiv1_002572
Property Insights of ChemDiv1_002572
The XLogP value of 4.8472 indicates that ChemDiv1_002572 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002572. Following Lipinski's Rule of Five, ChemDiv1_002572 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 ChemDiv1_002572?
The CAS number of ChemDiv1_002572 is 330210-18-9.
What is the molecular formula of ChemDiv1_002572?
The molecular formula of ChemDiv1_002572 is C18H16ClFN2O4S.
What is the molecular weight of ChemDiv1_002572?
The molecular weight of ChemDiv1_002572 is 410.05 g/mol.
Where can I buy ChemDiv1_002572?
You can request a quote for ChemDiv1_002572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002572?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.