3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid
TL;DR: 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid (CAS 531536-08-0) is a chemical compound with molecular formula C13H14I2N2O3S and molecular weight 531.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid
Also Known As: 3,5-diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid, 3,5-diiodo-2-(3-methylbutanoylthiocarbamoylamino)benzoic Acid, 3,5-Diiodo-2-{[(3-methylbutanoyl)carbamothioyl]amino}benzoic acid, 3,5-Diiodo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C13H14I2N2O3S |
|---|---|
| Molecular Weight | 531.88 g/mol |
| LogP | 3.4531 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 531.8815 |
| Heavy Atoms | 21 |
| Complexity | 591.02423 |
Chemical Identifiers
| CAS Number | 531536-08-0 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=C(C=C(C=C1I)I)C(=O)O |
Product Overview
3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid (CAS 531536-08-0), with molecular formula C13H14I2N2O3S and molecular weight 531.88 g/mol. IUPAC: 3,5-diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid
Property Insights of 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid
The XLogP value of 3.4531 indicates that 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid. Following Lipinski's Rule of Five, 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid has 3 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 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid?
The CAS number of 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid is 531536-08-0.
What is the molecular formula of 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid?
The molecular formula of 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid is C13H14I2N2O3S.
What is the molecular weight of 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid?
The molecular weight of 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid is 531.88 g/mol.
Where can I buy 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid?
You can request a quote for 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diiodo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.