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Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
TL;DR: Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate (CAS 431883-72-6) is a chemical compound with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: BAS 03655871, methyl 2-((5-(4-(dimethylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)acetate, methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate, METHYL 2-({5-[4-(DIMETHYLAMINO)PHENYL]-1,3,4-OXADIAZOL-2-YL}SULFANYL)ACETATE, methyl 2-[[5-(4-dimethylaminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
| Molecular Formula | C13H15N3O3S |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.0834 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 431883-72-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)OC |
| InChIKey | QCJVWIXUFOACDF-UHFFFAOYSA-N |
Product Overview
Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate (CAS 431883-72-6), with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol. IUPAC: methyl 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
Property Insights of Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate. Following Lipinski's Rule of Five, Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate 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 Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
The CAS number of Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate is 431883-72-6.
What is the molecular formula of Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
The molecular formula of Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate is C13H15N3O3S.
What is the molecular weight of Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
The molecular weight of Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate is 293.08 g/mol.
Where can I buy Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
You can request a quote for Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.