![Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate structure](/static/products/4780/478030-88-5.webp)
Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate
TL;DR: Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate (CAS 478030-88-5) is a chemical compound with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate
Also Known As: methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate, methyl 2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate, ethyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate, methyl2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate
| Molecular Formula | C12H12N2O2S2 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 2.8587 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.03403 |
| Heavy Atoms | 18 |
| Complexity | 527.8835 |
Chemical Identifiers
| CAS Number | 478030-88-5 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=C(N=NS1)C2=CC=CC=C2 |
Product Overview
Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate (CAS 478030-88-5), with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol. IUPAC: methyl 2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate.
Chemical Property Profile of Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate
Property Insights of Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate
The XLogP value of 2.8587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate. With a topological polar surface area (TPSA) of 52.08 Ų, Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate has 0 hydrogen bond donor(s) and 6 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 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate?
The CAS number of Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate is 478030-88-5.
What is the molecular formula of Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate?
The molecular formula of Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate is C12H12N2O2S2.
What is the molecular weight of Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate?
The molecular weight of Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate is 280.03 g/mol.
Where can I buy Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate?
You can request a quote for Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.