![[(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate structure](/static/products/100/1007191-02-7.png)
[(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate
TL;DR: [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate (CAS 1007191-02-7) is a chemical compound with molecular formula C23H27ClN4O3 and molecular weight 442.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate
Also Known As: [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate|[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate|EN300-26688622
| Molecular Formula | C23H27ClN4O3 |
|---|---|
| Molecular Weight | 442.18 g/mol |
| LogP | 3.81252 |
| Topological Polar Surface Area | 97.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.17715 |
| Heavy Atoms | 31 |
| Complexity | 1018.6779 |
Chemical Identifiers
| CAS Number | 1007191-02-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)OCC(=O)NC(C)(C#N)C(C)C)Cl |
Product Overview
[(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate (CAS 1007191-02-7), with molecular formula C23H27ClN4O3 and molecular weight 442.18 g/mol. IUPAC: [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate.
Chemical Property Profile of [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate
Property Insights of [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate
The XLogP value of 3.81252 indicates that [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.01 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate. Following Lipinski's Rule of Five, [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate has 1 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 [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate?
The CAS number of [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate is 1007191-02-7.
What is the molecular formula of [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate?
The molecular formula of [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate is C23H27ClN4O3.
What is the molecular weight of [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate?
The molecular weight of [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate is 442.18 g/mol.
Where can I buy [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate?
You can request a quote for [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.