![(2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid structure](/static/products/100/1006441-83-3.png)
(2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid
TL;DR: (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 1006441-83-3) is a chemical compound with molecular formula C11H13ClN2O4S and molecular weight 304.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazol-4-yl]prop-2-enoic acid
Also Known As: (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid, 3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid, (E)-3-[5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazol-4-yl]prop-2-enoic acid, 3-(5-Chloro-1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1h-pyrazol-4-yl)acrylic acid, 3-[5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazol-4-yl]acrylic acid
| Molecular Formula | C11H13ClN2O4S |
|---|---|
| Molecular Weight | 304.03 g/mol |
| LogP | 1.30232 |
| Topological Polar Surface Area | 89.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.02844 |
| Heavy Atoms | 19 |
| Complexity | 647.89764 |
Chemical Identifiers
| CAS Number | 1006441-83-3 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=C/C(=O)O)Cl)C2CCS(=O)(=O)C2 |
Product Overview
(2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 1006441-83-3), with molecular formula C11H13ClN2O4S and molecular weight 304.03 g/mol. IUPAC: (E)-3-[5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid
Property Insights of (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid
The XLogP value of 1.30232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid. The TPSA of 89.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 4 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 (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid?
The CAS number of (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid is 1006441-83-3.
What is the molecular formula of (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular formula of (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid is C11H13ClN2O4S.
What is the molecular weight of (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular weight of (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid is 304.03 g/mol.
Where can I buy (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid?
You can request a quote for (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[5-chloro-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.