![methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate structure](/static/products/6001/600146-71-2.webp)
methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate
TL;DR: methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate (CAS 600146-71-2) is a chemical compound with molecular formula C16H18N4O5S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
Also Known As: methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate, methyl 3-nitro-5-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate, 3-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester, methyl 3-nitro-5-((5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate, methyl 3-nitro-5-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate
| Molecular Formula | C16H18N4O5S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 3.3888 |
| Topological Polar Surface Area | 124.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.0998 |
| Heavy Atoms | 26 |
| Complexity | 831.7976 |
Chemical Identifiers
| CAS Number | 600146-71-2 |
|---|---|
| SMILES | CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate (CAS 600146-71-2), with molecular formula C16H18N4O5S and molecular weight 378.10 g/mol. IUPAC: methyl 3-nitro-5-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate.
Chemical Property Profile of methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate
Property Insights of methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate
The XLogP value of 3.3888 indicates that methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate. Following Lipinski's Rule of Five, methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate has 1 hydrogen bond donor(s) and 8 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-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate?
The CAS number of methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate is 600146-71-2.
What is the molecular formula of methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate?
The molecular formula of methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate is C16H18N4O5S.
What is the molecular weight of methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate?
The molecular weight of methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate is 378.10 g/mol.
Where can I buy methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate?
You can request a quote for methyl 3-({[5-(1-ethylpropyl)-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-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.