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Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
TL;DR: Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate (CAS 736147-12-9) is a chemical compound with molecular formula C13H15N3O2S2 and molecular weight 309.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: AB00720849-01, methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate, methyl 2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, Methyl 2-((5-((2,6-dimethylphenyl)amino)-1,3,4-thiadiazol-2-yl)thio)acetate
| Molecular Formula | C13H15N3O2S2 |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 3.16364 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.06058 |
| Heavy Atoms | 20 |
| Complexity | 593.16376 |
Chemical Identifiers
| CAS Number | 736147-12-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC2=NN=C(S2)SCC(=O)OC |
Product Overview
Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate (CAS 736147-12-9), with molecular formula C13H15N3O2S2 and molecular weight 309.06 g/mol. IUPAC: methyl 2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
Property Insights of Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
The XLogP value of 3.16364 indicates that Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate. Following Lipinski's Rule of Five, Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate has 1 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 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
The CAS number of Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is 736147-12-9.
What is the molecular formula of Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
The molecular formula of Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is C13H15N3O2S2.
What is the molecular weight of Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
The molecular weight of Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate is 309.06 g/mol.
Where can I buy Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
You can request a quote for Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-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 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.