Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate
TL;DR: Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate (CAS 254749-08-1) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(thiadiazol-4-yl)benzoate
Also Known As: methyl 4-(1,2,3-thiadiazol-4-yl)benzoate, methyl 4-(thiadiazol-4-yl)benzoate, Maybridge3_006020, Methyl4-(1,2,3-thiadiazol-4-yl)benzoate, IDI1_017407
| Molecular Formula | C10H8N2O2S |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 1.9917 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03065 |
| Heavy Atoms | 15 |
| Complexity | 450.78445 |
Chemical Identifiers
| CAS Number | 254749-08-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CSN=N2 |
Product Overview
Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate (CAS 254749-08-1), with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol. IUPAC: methyl 4-(thiadiazol-4-yl)benzoate.
Chemical Property Profile of Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate
Property Insights of Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate
The XLogP value of 1.9917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate. With a topological polar surface area (TPSA) of 52.08 Ų, Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate has 0 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 4-(1,2,3-thiadiazol-4-yl)benzoate?
The CAS number of Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate is 254749-08-1.
What is the molecular formula of Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate?
The molecular formula of Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate is C10H8N2O2S.
What is the molecular weight of Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate?
The molecular weight of Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate is 220.03 g/mol.
Where can I buy Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate?
You can request a quote for Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1,2,3-thiadiazol-4-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.