Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate
TL;DR: Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate (CAS 5669-81-8) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)acetate
Also Known As: AB00092732-01, methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate, methyl 2-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)acetate, methyl 2-(2-methyl-5-phenyl-1,3,4-thiadiazolin-2-yl)acetate, Methyl 2,3-dihydro-2-methyl-5-phenyl-1,3,4-thiadiazole-2-acetate
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.9639 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 447.07867 |
Chemical Identifiers
| CAS Number | 5669-81-8 |
|---|---|
| SMILES | CC1(NN=C(S1)C2=CC=CC=C2)CC(=O)OC |
Product Overview
Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate (CAS 5669-81-8), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: methyl 2-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)acetate.
Chemical Property Profile of Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate
Property Insights of Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate
The XLogP value of 1.9639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate. With a topological polar surface area (TPSA) of 50.69 Ų, Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate has 1 hydrogen bond donor(s) and 5 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-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate?
The CAS number of Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate is 5669-81-8.
What is the molecular formula of Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate?
The molecular formula of Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate is C12H14N2O2S.
What is the molecular weight of Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate?
The molecular weight of Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate is 250.08 g/mol.
Where can I buy Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate?
You can request a quote for Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.