![4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine structure](/static/products/957/957299-00-2.png)
4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine
TL;DR: 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine (CAS 957299-00-2) is a chemical compound with molecular formula C9H12BrN3OS and molecular weight 288.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-1-methylpyrazol-3-yl)-thiomorpholin-4-ylmethanone
Also Known As: 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine, (4-bromo-1-methylpyrazol-3-yl)-thiomorpholin-4-ylmethanone
| Molecular Formula | C9H12BrN3OS |
|---|---|
| Molecular Weight | 288.99 g/mol |
| LogP | 1.3716 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.98846 |
| Heavy Atoms | 15 |
| Complexity | 373.43442 |
Chemical Identifiers
| CAS Number | 957299-00-2 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)N2CCSCC2)Br |
Product Overview
4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine (CAS 957299-00-2), with molecular formula C9H12BrN3OS and molecular weight 288.99 g/mol. IUPAC: (4-bromo-1-methylpyrazol-3-yl)-thiomorpholin-4-ylmethanone.
Chemical Property Profile of 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine
Property Insights of 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine
The XLogP value of 1.3716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine. With a topological polar surface area (TPSA) of 38.13 Ų, 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine has 0 hydrogen bond donor(s) and 3 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-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine?
The CAS number of 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine is 957299-00-2.
What is the molecular formula of 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine?
The molecular formula of 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine is C9H12BrN3OS.
What is the molecular weight of 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine?
The molecular weight of 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine is 288.99 g/mol.
Where can I buy 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine?
You can request a quote for 4-[(4-bromo-1-methyl-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-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]thiomorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.