4-碘苯乙酸
TL;DR: 4-碘苯乙酸 (CAS 240408-97-3) is a chemical compound with molecular formula C8H7IO2 and molecular weight 261.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-碘苯乙酸
2-(4-iodophenyl)acetic acid
Also Known As: 4-Iodophenylacetic acid, 2-(4-iodophenyl)acetic acid, (4-iodophenyl)acetic acid, null, Benzeneacetic acid, 4-iodo-
| Molecular Formula | C8H7IO2 |
|---|---|
| Molecular Weight | 261.95 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.94907 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 240408-97-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)I |
| InChIKey | FJSHTWVDFAUNCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-碘苯乙酸 (CAS 240408-97-3), with molecular formula C8H7IO2 and molecular weight 261.95 g/mol. IUPAC: 2-(4-iodophenyl)acetic acid.
Chemical Property Profile of 4-碘苯乙酸
Property Insights of 4-碘苯乙酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-碘苯乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-碘苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-碘苯乙酸 has 1 hydrogen bond donor(s) and 2 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-碘苯乙酸?
The CAS number of 4-碘苯乙酸 is 240408-97-3.
What is the molecular formula of 4-碘苯乙酸?
The molecular formula of 4-碘苯乙酸 is C8H7IO2.
What is the molecular weight of 4-碘苯乙酸?
The molecular weight of 4-碘苯乙酸 is 261.95 g/mol.
Where can I buy 4-碘苯乙酸?
You can request a quote for 4-碘苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-碘苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-碘苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.