4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid
TL;DR: 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid (CAS 31556-10-2) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid
Also Known As: 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid, (5E)-4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid, 4-oxo-5-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)pentanoic acid
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 31556-10-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CC(=O)CCC(=O)O)N2 |
| InChIKey | CQGTWYJXHYSYMN-UHFFFAOYSA-N |
Product Overview
4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid (CAS 31556-10-2), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid.
Chemical Property Profile of 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid
Property Insights of 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid. Following Lipinski's Rule of Five, 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid has 2 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 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid?
The CAS number of 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid is 31556-10-2.
What is the molecular formula of 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid?
The molecular formula of 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid is C13H11NO4.
What is the molecular weight of 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid?
The molecular weight of 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid is 245.07 g/mol.
Where can I buy 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid?
You can request a quote for 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.