3-氨基-2,4,6-三碘苯甲酸
TL;DR: 3-氨基-2,4,6-三碘苯甲酸 (CAS 3119-15-1) is a chemical compound with molecular formula C7H4I3NO2 and molecular weight 514.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-2,4,6-三碘苯甲酸
3-amino-2,4,6-triiodobenzoic acid
Also Known As: 3-Amino-2,4,6-triiodobenzoic acid, 3-Amino-2,4,6-triiodo-benzoic acid, 3-Amino-2,4,6-triiodo-Benzoicacid, BENZOIC ACID, 3-AMINO-2,4,6-TRIIODO-, 2,3,4,6-tetraiodobenzoic acid
| Molecular Formula | C7H4I3NO2 |
|---|---|
| Molecular Weight | 514.74 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 514.7376 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 3119-15-1 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1I)N)I)C(=O)O)I |
| InChIKey | QMQFFHSJUJDRPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-2,4,6-三碘苯甲酸 (CAS 3119-15-1), with molecular formula C7H4I3NO2 and molecular weight 514.74 g/mol. IUPAC: 3-amino-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 3-氨基-2,4,6-三碘苯甲酸
Property Insights of 3-氨基-2,4,6-三碘苯甲酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基-2,4,6-三碘苯甲酸. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基-2,4,6-三碘苯甲酸. Following Lipinski's Rule of Five, 3-氨基-2,4,6-三碘苯甲酸 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 3-氨基-2,4,6-三碘苯甲酸?
The CAS number of 3-氨基-2,4,6-三碘苯甲酸 is 3119-15-1.
What is the molecular formula of 3-氨基-2,4,6-三碘苯甲酸?
The molecular formula of 3-氨基-2,4,6-三碘苯甲酸 is C7H4I3NO2.
What is the molecular weight of 3-氨基-2,4,6-三碘苯甲酸?
The molecular weight of 3-氨基-2,4,6-三碘苯甲酸 is 514.74 g/mol.
Where can I buy 3-氨基-2,4,6-三碘苯甲酸?
You can request a quote for 3-氨基-2,4,6-三碘苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基-2,4,6-三碘苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-2,4,6-三碘苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.