3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid
TL;DR: 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid (CAS 727-56-0) is a chemical compound with molecular formula C10H9I3N2O3 and molecular weight 585.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acetamidomethyl)-5-amino-2,4,6-triiodobenzoic acid
Also Known As: 5-amino-3-acetylaminomethyl-2,4,6-triiodobenzoic acid, 3-(acetamidomethyl)-5-amino-2,4,6-triiodobenzoic acid, 3-[(Acetylamino)methyl]-5-amino-2,4,6-triiodobenzoic acid, 3-Acetylaminomethyl-5-amino-2,4,6-trijod-benzoesaeure, 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid
| Molecular Formula | C10H9I3N2O3 |
|---|---|
| Molecular Weight | 585.77 g/mol |
| LogP | 2.4169 |
| Topological Polar Surface Area | 92.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 585.7747 |
| Heavy Atoms | 18 |
| Complexity | 531.8346 |
Chemical Identifiers
| CAS Number | 727-56-0 |
|---|---|
| SMILES | CC(=O)NCC1=C(C(=C(C(=C1I)N)I)C(=O)O)I |
Product Overview
3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid (CAS 727-56-0), with molecular formula C10H9I3N2O3 and molecular weight 585.77 g/mol. IUPAC: 3-(acetamidomethyl)-5-amino-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid
Property Insights of 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid
The XLogP value of 2.4169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid. The TPSA of 92.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid. Following Lipinski's Rule of Five, 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid has 3 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-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid?
The CAS number of 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid is 727-56-0.
What is the molecular formula of 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid?
The molecular formula of 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid is C10H9I3N2O3.
What is the molecular weight of 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid?
The molecular weight of 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid is 585.77 g/mol.
Where can I buy 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid?
You can request a quote for 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((Acetylamino)methyl)-5-amino-2,4,6-triiodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.