碘克酸
TL;DR: 碘克酸 (CAS 618-76-8) is a chemical compound with molecular formula C7H4I2O3 and molecular weight 389.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘克酸
4-hydroxy-3,5-diiodobenzoic acid
Also Known As: 4-Hydroxy-3,5-diiodobenzoic acid, 3,5-Diiodo-4-hydroxybenzoic acid, Ioxynic acid, Ioxynil acid, Ioxynil metabolite
| Molecular Formula | C7H4I2O3 |
|---|---|
| Molecular Weight | 389.82 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 389.82498 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 618-76-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)O)I)C(=O)O |
| InChIKey | XREKTVACBXQCSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘克酸 (CAS 618-76-8), with molecular formula C7H4I2O3 and molecular weight 389.82 g/mol. IUPAC: 4-hydroxy-3,5-diiodobenzoic acid.
Chemical Property Profile of 碘克酸
Property Insights of 碘克酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘克酸. With a topological polar surface area (TPSA) of 57.5 Ų, 碘克酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碘克酸 has 2 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 碘克酸?
The CAS number of 碘克酸 is 618-76-8.
What is the molecular formula of 碘克酸?
The molecular formula of 碘克酸 is C7H4I2O3.
What is the molecular weight of 碘克酸?
The molecular weight of 碘克酸 is 389.82 g/mol.
Where can I buy 碘克酸?
You can request a quote for 碘克酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘克酸?
Yes, KEHONG BIO provides custom synthesis services for 碘克酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.