Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-
TL;DR: Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)- (CAS 29067-70-7) is a chemical compound with molecular formula C13H14I3NO3 and molecular weight 612.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid
Also Known As: 2-(3-Butyramido-2,4,6-triiodophenyl)propionic acid, Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-, Hydratropic acid, 3-butyramido-2,4,6-triiodo-, 2-(3-butanamido-2,4,6-triiodophenyl)propanoic acid, 2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid
| Molecular Formula | C13H14I3NO3 |
|---|---|
| Molecular Weight | 612.81 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 612.8108 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 29067-70-7 |
|---|---|
| SMILES | CCCC(=O)NC1=C(C=C(C(=C1I)C(C)C(=O)O)I)I |
| InChIKey | KDETXAGYFWKMEJ-UHFFFAOYSA-N |
Product Overview
Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)- (CAS 29067-70-7), with molecular formula C13H14I3NO3 and molecular weight 612.81 g/mol. IUPAC: 2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid.
Chemical Property Profile of Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-
Property Insights of Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-
The XLogP value of 3.9 indicates that Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-. Following Lipinski's Rule of Five, Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)- has 2 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 Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-?
The CAS number of Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)- is 29067-70-7.
What is the molecular formula of Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-?
The molecular formula of Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)- is C13H14I3NO3.
What is the molecular weight of Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-?
The molecular weight of Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)- is 612.81 g/mol.
Where can I buy Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-?
You can request a quote for Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 2-(3-butyramido-2,4,6-triiodophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.