(Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole
TL;DR: (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole (CAS 955858-23-8) is a chemical compound with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(Z)-3-chlorobut-2-enyl]-3,5-dimethylpyrazole
Also Known As: 1-[(Z)-3-chlorobut-2-enyl]-3,5-dimethylpyrazole, (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole, 1-[(2Z)-3-chlorobut-2-en-1-yl]-3,5-dimethyl-1H-pyrazole
| Molecular Formula | C9H13ClN2 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 2.64254 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07672 |
| Heavy Atoms | 12 |
| Complexity | 295.47723 |
Chemical Identifiers
| CAS Number | 955858-23-8 |
|---|---|
| SMILES | CC1=CC(=NN1C/C=C(/C)\Cl)C |
Product Overview
(Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole (CAS 955858-23-8), with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol. IUPAC: 1-[(Z)-3-chlorobut-2-enyl]-3,5-dimethylpyrazole.
Chemical Property Profile of (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole
Property Insights of (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole
The XLogP value of 2.64254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 1 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 (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole?
The CAS number of (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole is 955858-23-8.
What is the molecular formula of (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole?
The molecular formula of (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole is C9H13ClN2.
What is the molecular weight of (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole?
The molecular weight of (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole is 184.08 g/mol.
Where can I buy (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole?
You can request a quote for (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(3-chlorobut-2-en-1-yl)-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.