![(E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one structure](/static/products/100/1005584-06-4.png)
(E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one
TL;DR: (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one (CAS 1005584-06-4) is a chemical compound with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one
Also Known As: (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one, (2E)-1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}prop-2-en-1-one, (E)-1-(1,5-DIMETHYL-1H-PYRAZOL-4-YL)-3-{4-METHOXY-3-[(2-PYRIDYLSULFANYL)METHYL]PHENYL}-2-PROPEN-1-ONE, 1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one
| Molecular Formula | C21H21N3O2S |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 4.32052 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.13544 |
| Heavy Atoms | 27 |
| Complexity | 964.813 |
Chemical Identifiers
| CAS Number | 1005584-06-4 |
|---|---|
| SMILES | CC1=C(C=NN1C)C(=O)/C=C/C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3 |
Product Overview
(E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one (CAS 1005584-06-4), with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol. IUPAC: (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one.
Chemical Property Profile of (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one
Property Insights of (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one
The XLogP value of 4.32052 indicates that (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one 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 (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one?
The CAS number of (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one is 1005584-06-4.
What is the molecular formula of (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one?
The molecular formula of (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one is C21H21N3O2S.
What is the molecular weight of (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one?
The molecular weight of (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one is 379.14 g/mol.
Where can I buy (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one?
You can request a quote for (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(1,5-dimethylpyrazol-4-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.