RefChem:331289
TL;DR: RefChem:331289 (CAS 57846-37-4) is a chemical compound with molecular formula C24H21ClN2O5 and molecular weight 452.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-cyano-3-oxobutanoate
Also Known As: 2,5-dibromo-3-dibromomethylthiophene, Butyric acid, 4-(1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)-2-cyano-3-oxo-, ethyl ester, 2-(1-p-Clorobenzoil-2-metil-5-metossi-3-indolilacetil)-cianacetato dietile [Italian], 2-(1-p-Clorobenzoil-2-metil-5-metossi-3-indolilacetil)-cianacetato dietile, Ethyl 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-2-cyano-3-oxobutanoate
| Molecular Formula | C24H21ClN2O5 |
|---|---|
| Molecular Weight | 452.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.1139 |
| Heavy Atoms | 32 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 57846-37-4 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C |
| InChIKey | ZPYNKCHFZOOQFZ-UHFFFAOYSA-N |
Product Overview
RefChem:331289 (CAS 57846-37-4), with molecular formula C24H21ClN2O5 and molecular weight 452.11 g/mol. IUPAC: ethyl 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-cyano-3-oxobutanoate.
Chemical Property Profile of RefChem:331289
Property Insights of RefChem:331289
The XLogP value of 4.8 indicates that RefChem:331289 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331289. Following Lipinski's Rule of Five, RefChem:331289 has 0 hydrogen bond donor(s) and 6 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:331289?
The CAS number of RefChem:331289 is 57846-37-4.
What is the molecular formula of RefChem:331289?
The molecular formula of RefChem:331289 is C24H21ClN2O5.
What is the molecular weight of RefChem:331289?
The molecular weight of RefChem:331289 is 452.11 g/mol.
Where can I buy RefChem:331289?
You can request a quote for RefChem:331289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331289?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.