Iobutoic Acid
TL;DR: Iobutoic Acid (CAS 13445-12-0) is a chemical compound with molecular formula C15H16I3NO5 and molecular weight 670.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,4,6-triiodo-3-(morpholine-4-carbonyl)phenoxy]butanoic acid
Also Known As: Iobutoic acid, acido iobutoico, acide iobutoique, acidum iobutoicum, Iobutoic acid [INN:DCF]
| Molecular Formula | C15H16I3NO5 |
|---|---|
| Molecular Weight | 670.82 g/mol |
| LogP | 3.2164 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 670.8163 |
| Heavy Atoms | 24 |
| Complexity | 632.0258 |
Chemical Identifiers
| CAS Number | 13445-12-0 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=C(C(=C(C=C2I)I)OCCCC(=O)O)I |
Product Overview
Iobutoic Acid (CAS 13445-12-0), with molecular formula C15H16I3NO5 and molecular weight 670.82 g/mol. IUPAC: 4-[2,4,6-triiodo-3-(morpholine-4-carbonyl)phenoxy]butanoic acid.
Chemical Property Profile of Iobutoic Acid
Property Insights of Iobutoic Acid
The XLogP value of 3.2164 indicates that Iobutoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Iobutoic Acid. Following Lipinski's Rule of Five, Iobutoic Acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iobutoic Acid?
The CAS number of Iobutoic Acid is 13445-12-0.
What is the molecular formula of Iobutoic Acid?
The molecular formula of Iobutoic Acid is C15H16I3NO5.
What is the molecular weight of Iobutoic Acid?
The molecular weight of Iobutoic Acid is 670.82 g/mol.
Where can I buy Iobutoic Acid?
You can request a quote for Iobutoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iobutoic Acid?
Yes, KEHONG BIO provides custom synthesis services for Iobutoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.