吲哚布芬
TL;DR: 吲哚布芬 (CAS 63610-08-2) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚布芬
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
Also Known As: Indobufen, Ibustrin, Indobufene, Indobufenum, indobufen[inn]
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 63610-08-2 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O |
| InChIKey | AYDXAULLCROVIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吲哚布芬 (CAS 63610-08-2), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid.
Chemical Property Profile of 吲哚布芬
Property Insights of 吲哚布芬
The XLogP value of 3.1 indicates that 吲哚布芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 吲哚布芬 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吲哚布芬 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 吲哚布芬?
The CAS number of 吲哚布芬 is 63610-08-2.
What is the molecular formula of 吲哚布芬?
The molecular formula of 吲哚布芬 is C18H17NO3.
What is the molecular weight of 吲哚布芬?
The molecular weight of 吲哚布芬 is 295.12 g/mol.
Where can I buy 吲哚布芬?
You can request a quote for 吲哚布芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚布芬?
Yes, KEHONG BIO provides custom synthesis services for 吲哚布芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.