3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸
TL;DR: 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸 (CAS 1713-07-1) is a chemical compound with molecular formula C9H7I3N2O3 and molecular weight 571.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸
3-acetamido-5-amino-2,4,6-triiodobenzoic acid
Also Known As: 3-(Acetylamino)-5-amino-2,4,6-triiodobenzoic acid, 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid, 5-Amino-azetrizoic acid, N-Desacetyl Amido Amidotrizoic Acid, 3-Amino-5-acetamido-2,4,6-triiodobenzoate
| Molecular Formula | C9H7I3N2O3 |
|---|---|
| Molecular Weight | 571.76 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 571.7591 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 1713-07-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)N)I)C(=O)O)I |
| InChIKey | XCNHOBHCZBIGJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸 (CAS 1713-07-1), with molecular formula C9H7I3N2O3 and molecular weight 571.76 g/mol. IUPAC: 3-acetamido-5-amino-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸
Property Insights of 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸. Following Lipinski's Rule of Five, 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸 has 3 hydrogen bond donor(s) and 4 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-5-乙酰氨基-2,4,6-三碘苯甲酸?
The CAS number of 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸 is 1713-07-1.
What is the molecular formula of 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸?
The molecular formula of 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸 is C9H7I3N2O3.
What is the molecular weight of 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸?
The molecular weight of 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸 is 571.76 g/mol.
Where can I buy 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸?
You can request a quote for 3-氨基-5-乙酰氨基-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-5-乙酰氨基-2,4,6-三碘苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-5-乙酰氨基-2,4,6-三碘苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.