![3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid structure](/static/products/7401/74014-05-4.webp)
3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid
TL;DR: 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid (CAS 74014-05-4) is a chemical compound with molecular formula C17H13NO7 and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid
Also Known As: 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid, 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)prop, 3-[3-(Methoxycarbonyl)-2,4,9-trioxo-2,3,4,9-tetrahydro-1H-benzo[f]indol-1-yl]propanoic acid
| Molecular Formula | C17H13NO7 |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.0692 |
| Heavy Atoms | 25 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 74014-05-4 |
|---|---|
| SMILES | COC(=O)C1C2=C(C(=O)C3=CC=CC=C3C2=O)N(C1=O)CCC(=O)O |
| InChIKey | MIWLDTXVIXNYNG-UHFFFAOYSA-N |
Product Overview
3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid (CAS 74014-05-4), with molecular formula C17H13NO7 and molecular weight 343.07 g/mol. IUPAC: 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid.
Chemical Property Profile of 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid
Property Insights of 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid has 1 hydrogen bond donor(s) and 7 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-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid?
The CAS number of 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid is 74014-05-4.
What is the molecular formula of 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid?
The molecular formula of 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid is C17H13NO7.
What is the molecular weight of 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid?
The molecular weight of 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid is 343.07 g/mol.
Where can I buy 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid?
You can request a quote for 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.