![2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate structure](/static/products/956/956798-79-1.png)
2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate
TL;DR: 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate (CAS 956798-79-1) is a chemical compound with molecular formula C27H27ClN4O5S and molecular weight 554.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (E)-3-[5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazol-4-yl]prop-2-enoate
Also Known As: 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate, [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (E)-3-[5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazol-4-yl]prop-2-enoate
| Molecular Formula | C27H27ClN4O5S |
|---|---|
| Molecular Weight | 554.14 g/mol |
| LogP | 4.52742 |
| Topological Polar Surface Area | 112.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.1391 |
| Heavy Atoms | 38 |
| Complexity | 1703.347 |
Chemical Identifiers
| CAS Number | 956798-79-1 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)/C=C/C3=C(N(N=C3C)C4CCS(=O)(=O)C4)Cl)C5=CC=CC=C51 |
Product Overview
2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate (CAS 956798-79-1), with molecular formula C27H27ClN4O5S and molecular weight 554.14 g/mol. IUPAC: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (E)-3-[5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazol-4-yl]prop-2-enoate.
Chemical Property Profile of 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate
Property Insights of 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate
The XLogP value of 4.52742 indicates that 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate. Following Lipinski's Rule of Five, 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate?
The CAS number of 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate is 956798-79-1.
What is the molecular formula of 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate?
The molecular formula of 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate is C27H27ClN4O5S.
What is the molecular weight of 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate?
The molecular weight of 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate is 554.14 g/mol.
Where can I buy 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate?
You can request a quote for 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(9-Ethyl-9H-carbazol-3-yl)amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.