(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester
TL;DR: (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester (CAS 459846-03-8) is a chemical compound with molecular formula C9H8N2O3S2 and molecular weight 256.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
Also Known As: BAS 04370763, VU0512882-1, methyl 2-{[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate, (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester, methyl 2-((5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate
| Molecular Formula | C9H8N2O3S2 |
|---|---|
| Molecular Weight | 256.00 g/mol |
| LogP | 2.0632 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.99763 |
| Heavy Atoms | 16 |
| Complexity | 466.8173 |
Chemical Identifiers
| CAS Number | 459846-03-8 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(O1)C2=CC=CS2 |
Product Overview
(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester (CAS 459846-03-8), with molecular formula C9H8N2O3S2 and molecular weight 256.00 g/mol. IUPAC: methyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester
Property Insights of (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester
The XLogP value of 2.0632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester. Following Lipinski's Rule of Five, (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester 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 (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester?
The CAS number of (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester is 459846-03-8.
What is the molecular formula of (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester?
The molecular formula of (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester is C9H8N2O3S2.
What is the molecular weight of (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester?
The molecular weight of (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester is 256.00 g/mol.
Where can I buy (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester?
You can request a quote for (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.