3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester
TL;DR: 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester (CAS 23845-45-6) is a chemical compound with molecular formula C15H14N2O5 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1-acetylindol-3-yl)-3-nitrobut-3-enoate
Also Known As: methyl 4-(1-acetylindol-3-yl)-3-nitrobut-3-enoate, methyl (E)-4-(1-acetylindol-3-yl)-3-nitrobut-3-enoate, 3-BUTENOICACID, 4-(1-ACETYL-1H-INDOL-3-YL)-3-NITRO-, METHYL ESTER
| Molecular Formula | C15H14N2O5 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.09027 |
| Heavy Atoms | 22 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 23845-45-6 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)C=C(CC(=O)OC)[N+](=O)[O-] |
| InChIKey | SQRLHNZBKAPRAO-UHFFFAOYSA-N |
Product Overview
3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester (CAS 23845-45-6), with molecular formula C15H14N2O5 and molecular weight 302.09 g/mol. IUPAC: methyl 4-(1-acetylindol-3-yl)-3-nitrobut-3-enoate.
Chemical Property Profile of 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester
Property Insights of 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester. Following Lipinski's Rule of Five, 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester has 0 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 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester?
The CAS number of 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester is 23845-45-6.
What is the molecular formula of 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester?
The molecular formula of 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester is C15H14N2O5.
What is the molecular weight of 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester?
The molecular weight of 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester is 302.09 g/mol.
Where can I buy 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester?
You can request a quote for 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoicacid, 4-(1-acetyl-1H-indol-3-YL)-3-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.