Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1)
TL;DR: Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1) (CAS 19014-74-5) is a chemical compound with molecular formula C26H28I6N4O11 and molecular weight 1333.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid);hydrate
Also Known As: C13H13I3N2O5.1/2H2O, ((3-Acetamido-2,4,6-triiodobenzyl)imino)diacetic acid hydrate (2:1), ACETIC ACID, ((3-ACETAMIDO-2,4,6-TRIIODOBENZYL)IMINO)DI-, HYDRATE (2:1), C13-H13-I3-N2-O5.1/2H2-O, N-(2,4,6-Triiodo-3-acetamidobenzyl)iminodiacetic acid hemihydrate
| Molecular Formula | C26H28I6N4O11 |
|---|---|
| Molecular Weight | 1333.60 g/mol |
| LogP | 4.04 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 1333.6023 |
| Heavy Atoms | 47 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 19014-74-5 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1I)CN(CC(=O)O)CC(=O)O)I)I.CC(=O)NC1=C(C=C(C(=C1I)CN(CC(=O)O)CC(=O)O)I)I.O |
| InChIKey | MYRWOTBIRNHYKK-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1) (CAS 19014-74-5), with molecular formula C26H28I6N4O11 and molecular weight 1333.60 g/mol. IUPAC: bis(2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid);hydrate.
Chemical Property Profile of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1)
Property Insights of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1)
The XLogP value of 4.04 indicates that Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 215.0 Ų indicates high polarity, suggesting Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1) has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1)?
The CAS number of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1) is 19014-74-5.
What is the molecular formula of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1)?
The molecular formula of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1) is C26H28I6N4O11.
What is the molecular weight of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1)?
The molecular weight of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1) is 1333.60 g/mol.
Where can I buy Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1)?
You can request a quote for Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.