4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine
TL;DR: 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine (CAS 515150-49-9) is a chemical compound with molecular formula C10H14N4O3S and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,5-dimethyl-4-nitropyrazol-3-yl)-thiomorpholin-4-ylmethanone
Also Known As: 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine, (1,5-dimethyl-4-nitropyrazol-3-yl)-thiomorpholin-4-ylmethanone
| Molecular Formula | C10H14N4O3S |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.07867 |
| Heavy Atoms | 18 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 515150-49-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C(=O)N2CCSCC2)[N+](=O)[O-] |
| InChIKey | CFWYWIYRWYDSDS-UHFFFAOYSA-N |
Product Overview
4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine (CAS 515150-49-9), with molecular formula C10H14N4O3S and molecular weight 270.08 g/mol. IUPAC: (1,5-dimethyl-4-nitropyrazol-3-yl)-thiomorpholin-4-ylmethanone.
Chemical Property Profile of 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine
Property Insights of 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine. Following Lipinski's Rule of Five, 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine 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 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine?
The CAS number of 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine is 515150-49-9.
What is the molecular formula of 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine?
The molecular formula of 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine is C10H14N4O3S.
What is the molecular weight of 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine?
The molecular weight of 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine is 270.08 g/mol.
Where can I buy 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine?
You can request a quote for 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-({4-nitro-1,5-dimethyl-1H-pyrazol-3-yl}carbonyl)thiomorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.