碘番酸
TL;DR: 碘番酸 (CAS 96-83-3) is a chemical compound with molecular formula C11H12I3NO2 and molecular weight 570.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘番酸
2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
Also Known As: IOPANOIC ACID, Iodopanoic acid, Telepaque, Iopagnost, Cholevid
| Molecular Formula | C11H12I3NO2 |
|---|---|
| Molecular Weight | 570.80 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 570.8002 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| Melting Point | MELTS WITH DECOMP BETWEEN 152 DEG & 158 °C |
| Solubility | CREAM-COLORED SOLID; SOL IN DIL ALKALI, 95% ALC, OTHER ORG SOLVENTS /DL-ISOMER/ |
Chemical Identifiers
| CAS Number | 96-83-3 |
|---|---|
| SMILES | CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O |
| InChIKey | OIRFJRBSRORBCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘番酸 (CAS 96-83-3), with molecular formula C11H12I3NO2 and molecular weight 570.80 g/mol. IUPAC: 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid.
Chemical Property Profile of 碘番酸
Property Insights of 碘番酸
The XLogP value of 3.9 indicates that 碘番酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 碘番酸. Following Lipinski's Rule of Five, 碘番酸 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 碘番酸?
The CAS number of 碘番酸 is 96-83-3.
What is the molecular formula of 碘番酸?
The molecular formula of 碘番酸 is C11H12I3NO2.
What is the molecular weight of 碘番酸?
The molecular weight of 碘番酸 is 570.80 g/mol.
Where can I buy 碘番酸?
You can request a quote for 碘番酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘番酸?
Yes, KEHONG BIO provides custom synthesis services for 碘番酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.