ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate
TL;DR: ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate (CAS 6061-21-8) is a chemical compound with molecular formula C28H20ClNO6 and molecular weight 501.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate, AJ-292/14244116, 1-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 3-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 1-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydrospiro(1H-furo[3,4-c]pyrrole-3,2'-[1'H]-indene)-1',3',4,6(2'H,3H,5H)-tetrone
| Molecular Formula | C28H20ClNO6 |
|---|---|
| Molecular Weight | 501.10 g/mol |
| LogP | 4.35212 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 501.0979 |
| Heavy Atoms | 36 |
| Complexity | 1444.6102 |
Chemical Identifiers
| CAS Number | 6061-21-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=C(C=CC(=C6)Cl)OC |
Product Overview
ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate (CAS 6061-21-8), with molecular formula C28H20ClNO6 and molecular weight 501.10 g/mol. IUPAC: 1-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate
Property Insights of ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate
The XLogP value of 4.35212 indicates that ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate has 0 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 ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate?
The CAS number of ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate is 6061-21-8.
What is the molecular formula of ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate?
The molecular formula of ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate is C28H20ClNO6.
What is the molecular weight of ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate?
The molecular weight of ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate is 501.10 g/mol.
Where can I buy ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate?
You can request a quote for ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.