![2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide structure](/static/products/5128/512817-45-7.webp)
2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide
TL;DR: 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide (CAS 512817-45-7) is a chemical compound with molecular formula C13H22BrN5OS and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-butylthiourea
Also Known As: 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide, 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-butylthiourea, 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-butyl-thiourea, 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-butylthiourea, 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-butyl-thiourea
| Molecular Formula | C13H22BrN5OS |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 1.94794 |
| Topological Polar Surface Area | 70.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.07285 |
| Heavy Atoms | 21 |
| Complexity | 502.99622 |
Chemical Identifiers
| CAS Number | 512817-45-7 |
|---|---|
| SMILES | CCCCNC(=S)NNC(=O)CCN1C(=C(C(=N1)C)Br)C |
Product Overview
2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide (CAS 512817-45-7), with molecular formula C13H22BrN5OS and molecular weight 375.07 g/mol. IUPAC: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-butylthiourea.
Chemical Property Profile of 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide
Property Insights of 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide
The XLogP value of 1.94794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide. The TPSA of 70.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide has 3 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 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide?
The CAS number of 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide is 512817-45-7.
What is the molecular formula of 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide?
The molecular formula of 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide is C13H22BrN5OS.
What is the molecular weight of 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide?
The molecular weight of 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide is 375.07 g/mol.
Where can I buy 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide?
You can request a quote for 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.