3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate
TL;DR: 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate (CAS 714252-97-8) is a chemical compound with molecular formula C10H9N3O3S2 and molecular weight 283.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-(thiophene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]acetate
Also Known As: 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate, methyl {(5E)-5-[(thiophen-2-ylcarbonyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetate, methyl 2-(5-(thiophene-2-carboxamido)-1,3,4-thiadiazol-2-yl)acetate, methyl 2-[5-(thiophene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]acetate, Methyl {5-[(thiophene-2-carbonyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetate
| Molecular Formula | C10H9N3O3S2 |
|---|---|
| Molecular Weight | 283.01 g/mol |
| LogP | 1.5674 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.00854 |
| Heavy Atoms | 18 |
| Complexity | 550.4787 |
Chemical Identifiers
| CAS Number | 714252-97-8 |
|---|---|
| SMILES | COC(=O)CC1=NN=C(S1)NC(=O)C2=CC=CS2 |
Product Overview
3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate (CAS 714252-97-8), with molecular formula C10H9N3O3S2 and molecular weight 283.01 g/mol. IUPAC: methyl 2-[5-(thiophene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]acetate.
Chemical Property Profile of 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate
Property Insights of 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate
The XLogP value of 1.5674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate 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 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate?
The CAS number of 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate is 714252-97-8.
What is the molecular formula of 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate?
The molecular formula of 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate is C10H9N3O3S2.
What is the molecular weight of 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate?
The molecular weight of 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate is 283.01 g/mol.
Where can I buy 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate?
You can request a quote for 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.