3-formyl-2-methyl-5-nitroindole
TL;DR: 3-formyl-2-methyl-5-nitroindole (CAS 3558-17-6) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(oxolan-2-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-formyl-2-methyl-5-nitroindole, BAS 06635630, 3-[(Tetrahydro-furan-2-ylmethyl)-carbamoyl]-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(((Tetrahydrofuran-2-yl)methyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-bicyclo[
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 0.8045 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 413.66904 |
Chemical Identifiers
| CAS Number | 3558-17-6 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)C2C3CC(C2C(=O)O)C=C3 |
Product Overview
3-formyl-2-methyl-5-nitroindole (CAS 3558-17-6), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: 3-(oxolan-2-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-formyl-2-methyl-5-nitroindole
Property Insights of 3-formyl-2-methyl-5-nitroindole
The XLogP value of 0.8045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-formyl-2-methyl-5-nitroindole. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-formyl-2-methyl-5-nitroindole. Following Lipinski's Rule of Five, 3-formyl-2-methyl-5-nitroindole has 2 hydrogen bond donor(s) and 3 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-formyl-2-methyl-5-nitroindole?
The CAS number of 3-formyl-2-methyl-5-nitroindole is 3558-17-6.
What is the molecular formula of 3-formyl-2-methyl-5-nitroindole?
The molecular formula of 3-formyl-2-methyl-5-nitroindole is C14H19NO4.
What is the molecular weight of 3-formyl-2-methyl-5-nitroindole?
The molecular weight of 3-formyl-2-methyl-5-nitroindole is 265.13 g/mol.
Where can I buy 3-formyl-2-methyl-5-nitroindole?
You can request a quote for 3-formyl-2-methyl-5-nitroindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-formyl-2-methyl-5-nitroindole?
Yes, KEHONG BIO provides custom synthesis services for 3-formyl-2-methyl-5-nitroindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.