Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester
TL;DR: Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester (CAS 19014-73-4) is a chemical compound with molecular formula C15H17I3N2O5 and molecular weight 685.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
Also Known As: Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester, Dimethyl ((3-acetamido-2,4,6-triiodobenzyl)imino)diacetate, N-(2,4,6-Triiodo-3-acetamidobenzyl)iminodiacetic acid dimethyl ester, methyl 2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate, Acetic acid,[(3-acetamido-2,4,6-triiodobenzyl)imino]di-, dimethyl ester (8CI)
| Molecular Formula | C15H17I3N2O5 |
|---|---|
| Molecular Weight | 685.83 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 685.8272 |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 19014-73-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1I)CN(CC(=O)OC)CC(=O)OC)I)I |
| InChIKey | JOFWQAFCXCEUCR-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester (CAS 19014-73-4), with molecular formula C15H17I3N2O5 and molecular weight 685.83 g/mol. IUPAC: methyl 2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.
Chemical Property Profile of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester
Property Insights of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester has 1 hydrogen bond donor(s) and 6 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-, dimethyl ester?
The CAS number of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester is 19014-73-4.
What is the molecular formula of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester?
The molecular formula of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester is C15H17I3N2O5.
What is the molecular weight of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester?
The molecular weight of Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester is 685.83 g/mol.
Where can I buy Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester?
You can request a quote for Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester 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-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.