BAS 01108590
TL;DR: BAS 01108590 (CAS 330210-17-8) is a chemical compound with molecular formula C18H16Cl2N2O4S and molecular weight 426.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Also Known As: BAS 01108590, 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole, 2-((2,4-dichlorobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole, 2-(2,4-Dichloro-benzylsulfanyl)-5-(3,4,5-trimethoxy-phenyl)-[1,3,4]oxadiazole, 2-[(2,4-dichlorobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
| Molecular Formula | C18H16Cl2N2O4S |
|---|---|
| Molecular Weight | 426.02 g/mol |
| LogP | 5.3615 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.02078 |
| Heavy Atoms | 27 |
| Complexity | 923.8562 |
Chemical Identifiers
| CAS Number | 330210-17-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 01108590 (CAS 330210-17-8), with molecular formula C18H16Cl2N2O4S and molecular weight 426.02 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
Chemical Property Profile of BAS 01108590
Property Insights of BAS 01108590
The XLogP value of 5.3615 indicates that BAS 01108590 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 BAS 01108590. Following Lipinski's Rule of Five, BAS 01108590 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01108590?
The CAS number of BAS 01108590 is 330210-17-8.
What is the molecular formula of BAS 01108590?
The molecular formula of BAS 01108590 is C18H16Cl2N2O4S.
What is the molecular weight of BAS 01108590?
The molecular weight of BAS 01108590 is 426.02 g/mol.
Where can I buy BAS 01108590?
You can request a quote for BAS 01108590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108590?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.