吲哚洛芬
TL;DR: 吲哚洛芬 (CAS 31842-01-0) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚洛芬
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid
Also Known As: indoprofen, Isindone, Reumofene, Flosint, Flosin
| Molecular Formula | C17H15NO3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1052 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
| Melting Point | 208-210 |
| Solubility | >42.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 31842-01-0 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O |
| InChIKey | RJMIEHBSYVWVIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吲哚洛芬 (CAS 31842-01-0), with molecular formula C17H15NO3 and molecular weight 281.11 g/mol. IUPAC: 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid.
Chemical Property Profile of 吲哚洛芬
Property Insights of 吲哚洛芬
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚洛芬. With a topological polar surface area (TPSA) of 57.6 Ų, 吲哚洛芬 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吲哚洛芬 has 1 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 吲哚洛芬?
The CAS number of 吲哚洛芬 is 31842-01-0.
What is the molecular formula of 吲哚洛芬?
The molecular formula of 吲哚洛芬 is C17H15NO3.
What is the molecular weight of 吲哚洛芬?
The molecular weight of 吲哚洛芬 is 281.11 g/mol.
Where can I buy 吲哚洛芬?
You can request a quote for 吲哚洛芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚洛芬?
Yes, KEHONG BIO provides custom synthesis services for 吲哚洛芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.