RefChem:1097238
TL;DR: RefChem:1097238 (CAS 66751-71-1) is a chemical compound with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(E)-(1-methylpyrrolidin-2-ylidene)amino]-1H-pyrazole-4-carboxylate
Also Known As: 5-((1-Methyl-2-pyprolidinylidene)amino)pyrazole-4-carboxylic acid ethyl ester, Pyrazole-4-carboxylic acid, 5-((1-methyl-2-pyrrolidinylidene)amino)-, ethyl ester, ethyl 5-[(1-methylpyrrolidin-2-ylidene)amino]-1H-pyrazole-4-carboxylate, 5-[(1-Methylpyrrolidin-2-ylidene)amino]-1H-pyrazole-4-carboxylic acid ethyl ester, RefChem:1097238
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 1.342 |
| Topological Polar Surface Area | 70.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 438.43475 |
Chemical Identifiers
| CAS Number | 66751-71-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1)/N=C/2\CCCN2C |
Product Overview
RefChem:1097238 (CAS 66751-71-1), with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol. IUPAC: ethyl 5-[(E)-(1-methylpyrrolidin-2-ylidene)amino]-1H-pyrazole-4-carboxylate.
Chemical Property Profile of RefChem:1097238
Property Insights of RefChem:1097238
The XLogP value of 1.342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097238. The TPSA of 70.58 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097238. Following Lipinski's Rule of Five, RefChem:1097238 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 RefChem:1097238?
The CAS number of RefChem:1097238 is 66751-71-1.
What is the molecular formula of RefChem:1097238?
The molecular formula of RefChem:1097238 is C11H16N4O2.
What is the molecular weight of RefChem:1097238?
The molecular weight of RefChem:1097238 is 236.13 g/mol.
Where can I buy RefChem:1097238?
You can request a quote for RefChem:1097238 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097238?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097238 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.