4-碘苯甲酸
TL;DR: 4-碘苯甲酸 (CAS 619-58-9) is a chemical compound with molecular formula C7H5IO2 and molecular weight 247.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-碘苯甲酸
4-iodobenzoic acid
Also Known As: 4-IODOBENZOIC ACID, p-Iodobenzoic acid, Benzoic acid, 4-iodo-, Benzoic acid, p-iodo-, 4-Iodobenzoicacid
| Molecular Formula | C7H5IO2 |
|---|---|
| Molecular Weight | 247.93 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.93343 |
| Heavy Atoms | 10 |
| Complexity | 128.0 |
| Vapor Pressure | 0.000198 [mmHg] |
Chemical Identifiers
| CAS Number | 619-58-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)I |
| InChIKey | GHICCUXQJBDNRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-碘苯甲酸 (CAS 619-58-9), with molecular formula C7H5IO2 and molecular weight 247.93 g/mol. IUPAC: 4-iodobenzoic acid.
Chemical Property Profile of 4-碘苯甲酸
Property Insights of 4-碘苯甲酸
The XLogP value of 3.0 indicates that 4-碘苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-碘苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-碘苯甲酸 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-碘苯甲酸?
The CAS number of 4-碘苯甲酸 is 619-58-9.
What is the molecular formula of 4-碘苯甲酸?
The molecular formula of 4-碘苯甲酸 is C7H5IO2.
What is the molecular weight of 4-碘苯甲酸?
The molecular weight of 4-碘苯甲酸 is 247.93 g/mol.
Where can I buy 4-碘苯甲酸?
You can request a quote for 4-碘苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-碘苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-碘苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.