(4-Iodoacetanilido)iminodiacetic acid
TL;DR: (4-Iodoacetanilido)iminodiacetic acid (CAS 6336-40-9) is a chemical compound with molecular formula C12H13IN2O5 and molecular weight 391.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxymethyl-[2-(4-iodoanilino)-2-oxoethyl]amino]acetic acid
Also Known As: p-Iodo-ida, (4-Iodoacetanilido)iminodiacetic acid, (p-Iodoacetanilido)iminodiacetic acid, (para-Iodoacetanilido)iminodiacetic acid, 2,2'-({2-[(4-iodophenyl)amino]-2-oxoethyl}imino)diacetic acid
| Molecular Formula | C12H13IN2O5 |
|---|---|
| Molecular Weight | 391.99 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.9869 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 6336-40-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CN(CC(=O)O)CC(=O)O)I |
| InChIKey | JMCYMWPKZIDMHK-UHFFFAOYSA-N |
Product Overview
(4-Iodoacetanilido)iminodiacetic acid (CAS 6336-40-9), with molecular formula C12H13IN2O5 and molecular weight 391.99 g/mol. IUPAC: 2-[carboxymethyl-[2-(4-iodoanilino)-2-oxoethyl]amino]acetic acid.
Chemical Property Profile of (4-Iodoacetanilido)iminodiacetic acid
Property Insights of (4-Iodoacetanilido)iminodiacetic acid
The XLogP value of -1.3 indicates that (4-Iodoacetanilido)iminodiacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Iodoacetanilido)iminodiacetic acid. Following Lipinski's Rule of Five, (4-Iodoacetanilido)iminodiacetic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Iodoacetanilido)iminodiacetic acid?
The CAS number of (4-Iodoacetanilido)iminodiacetic acid is 6336-40-9.
What is the molecular formula of (4-Iodoacetanilido)iminodiacetic acid?
The molecular formula of (4-Iodoacetanilido)iminodiacetic acid is C12H13IN2O5.
What is the molecular weight of (4-Iodoacetanilido)iminodiacetic acid?
The molecular weight of (4-Iodoacetanilido)iminodiacetic acid is 391.99 g/mol.
Where can I buy (4-Iodoacetanilido)iminodiacetic acid?
You can request a quote for (4-Iodoacetanilido)iminodiacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Iodoacetanilido)iminodiacetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Iodoacetanilido)iminodiacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.