prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate
TL;DR: prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate (CAS 329266-66-2) is a chemical compound with molecular formula C15H17N3OS2 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate
Also Known As: prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate, 2,3-dimethyl-1-phenyl-4-[(prop-2-enylthiothioxomethyl)amino]-3-pyrazolin-5-one, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(prop-2-en-1-ylsulfanyl)carbothioamide, 4-[(allylthio)thiocarbonylamino]-1-methyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, allyl (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamodithioate
| Molecular Formula | C15H17N3OS2 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 3.10042 |
| Topological Polar Surface Area | 38.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0813 |
| Heavy Atoms | 21 |
| Complexity | 716.51025 |
Chemical Identifiers
| CAS Number | 329266-66-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)SCC=C |
Product Overview
prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate (CAS 329266-66-2), with molecular formula C15H17N3OS2 and molecular weight 319.08 g/mol. IUPAC: prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate.
Chemical Property Profile of prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate
Property Insights of prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate
The XLogP value of 3.10042 indicates that prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.96 Ų, prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate has 1 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 prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate?
The CAS number of prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate is 329266-66-2.
What is the molecular formula of prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate?
The molecular formula of prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate is C15H17N3OS2.
What is the molecular weight of prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate?
The molecular weight of prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate is 319.08 g/mol.
Where can I buy prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate?
You can request a quote for prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for prop-2-enyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.