![Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate structure](/static/products/444/444150-86-1.png)
Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
TL;DR: Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate (CAS 444150-86-1) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: BAS 03655874, butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate, butyl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate, butyl 2-((5-(4-(dimethylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)acetate, butyl 2-[[5-(4-dimethylaminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.238 |
| Topological Polar Surface Area | 68.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 625.7556 |
Chemical Identifiers
| CAS Number | 444150-86-1 |
|---|---|
| SMILES | CCCCOC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)N(C)C |
Product Overview
Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate (CAS 444150-86-1), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: butyl 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
Property Insights of Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
The XLogP value of 3.238 indicates that Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate. Following Lipinski's Rule of Five, Butyl 2-({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 Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
The CAS number of Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate is 444150-86-1.
What is the molecular formula of Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
The molecular formula of Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate is C16H21N3O3S.
What is the molecular weight of Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
The molecular weight of Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate is 335.13 g/mol.
Where can I buy Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
You can request a quote for Butyl 2-({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 Butyl 2-({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-({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.