醋碘苯酸
TL;DR: 醋碘苯酸 (CAS 85-36-9) is a chemical compound with molecular formula C9H6I3NO3 and molecular weight 556.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
醋碘苯酸
3-acetamido-2,4,6-triiodobenzoic acid
Also Known As: Acetrizoic acid, Urokonic acid, Opacaron, Urokon, Acetrizoesaeure
| Molecular Formula | C9H6I3NO3 |
|---|---|
| Molecular Weight | 556.75 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 556.7482 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
| Boiling Point | 547.1 |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 85-36-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I |
| InChIKey | GNOGSFBXBWBTIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
醋碘苯酸 (CAS 85-36-9), with molecular formula C9H6I3NO3 and molecular weight 556.75 g/mol. IUPAC: 3-acetamido-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 醋碘苯酸
Property Insights of 醋碘苯酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 醋碘苯酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 醋碘苯酸. Following Lipinski's Rule of Five, 醋碘苯酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 醋碘苯酸?
The CAS number of 醋碘苯酸 is 85-36-9.
What is the molecular formula of 醋碘苯酸?
The molecular formula of 醋碘苯酸 is C9H6I3NO3.
What is the molecular weight of 醋碘苯酸?
The molecular weight of 醋碘苯酸 is 556.75 g/mol.
Where can I buy 醋碘苯酸?
You can request a quote for 醋碘苯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 醋碘苯酸?
Yes, KEHONG BIO provides custom synthesis services for 醋碘苯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.