![methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate structure](/static/products/7012/701237-53-8.webp)
methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate
TL;DR: methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate (CAS 701237-53-8) is a chemical compound with molecular formula C14H14N4O6S and molecular weight 366.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate, methyl 3-((5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl)carbamoyl)-5-nitrobenzoate, methyl 3-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitrobenzoate, methyl 3-{[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate, methyl 5-{N-[5-(ethoxymethyl)(1,3,4-thiadiazol-2-yl)]carbamoyl}-3-nitrobenzoat e
| Molecular Formula | C14H14N4O6S |
|---|---|
| Molecular Weight | 366.06 g/mol |
| LogP | 2.0217 |
| Topological Polar Surface Area | 133.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.06342 |
| Heavy Atoms | 25 |
| Complexity | 806.3697 |
Chemical Identifiers
| CAS Number | 701237-53-8 |
|---|---|
| SMILES | CCOCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate (CAS 701237-53-8), with molecular formula C14H14N4O6S and molecular weight 366.06 g/mol. IUPAC: methyl 3-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate
Property Insights of methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate
The XLogP value of 2.0217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate. The TPSA of 133.55 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate. Following Lipinski's Rule of Five, methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate has 1 hydrogen bond donor(s) and 9 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 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate?
The CAS number of methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate is 701237-53-8.
What is the molecular formula of methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate?
The molecular formula of methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate is C14H14N4O6S.
What is the molecular weight of methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate?
The molecular weight of methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate is 366.06 g/mol.
Where can I buy methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate?
You can request a quote for methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.