4-碘邻苯二甲酸
TL;DR: 4-碘邻苯二甲酸 (CAS 6301-60-6) is a chemical compound with molecular formula C8H5IO4 and molecular weight 291.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-碘邻苯二甲酸
4-iodophthalic acid
Also Known As: 4-Iodophthalic acid, 4-Iodophthalicacid, 4-iodo-phthalic acid, Phthalic acid, 4-iodo-, 4-iodobenzene-1,2-dicarboxylic acid
| Molecular Formula | C8H5IO4 |
|---|---|
| Molecular Weight | 291.92 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.92325 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 6301-60-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1I)C(=O)O)C(=O)O |
| InChIKey | NVBFLFQAJXJZIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-碘邻苯二甲酸 (CAS 6301-60-6), with molecular formula C8H5IO4 and molecular weight 291.92 g/mol. IUPAC: 4-iodophthalic acid.
Chemical Property Profile of 4-碘邻苯二甲酸
Property Insights of 4-碘邻苯二甲酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-碘邻苯二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-碘邻苯二甲酸. Following Lipinski's Rule of Five, 4-碘邻苯二甲酸 has 2 hydrogen bond donor(s) and 4 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-碘邻苯二甲酸?
The CAS number of 4-碘邻苯二甲酸 is 6301-60-6.
What is the molecular formula of 4-碘邻苯二甲酸?
The molecular formula of 4-碘邻苯二甲酸 is C8H5IO4.
What is the molecular weight of 4-碘邻苯二甲酸?
The molecular weight of 4-碘邻苯二甲酸 is 291.92 g/mol.
Where can I buy 4-碘邻苯二甲酸?
You can request a quote for 4-碘邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-碘邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-碘邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.