![2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid structure](/static/products/5315/531544-53-3.webp)
2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
TL;DR: 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid (CAS 531544-53-3) is a chemical compound with molecular formula C19H19IN2O4S and molecular weight 498.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-butoxybenzoyl)carbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[(4-butoxybenzoyl)carbamothioylamino]-5-iodobenzoic acid, 2-[(4-butoxybenzoyl)thiocarbamoylamino]-5-iodo-benzoic Acid, 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl ]amino]-5-iodo-benzoic acid
| Molecular Formula | C19H19IN2O4S |
|---|---|
| Molecular Weight | 498.01 g/mol |
| LogP | 4.2951 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.01102 |
| Heavy Atoms | 27 |
| Complexity | 840.10333 |
Chemical Identifiers
| CAS Number | 531544-53-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O |
Product Overview
2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid (CAS 531544-53-3), with molecular formula C19H19IN2O4S and molecular weight 498.01 g/mol. IUPAC: 2-[(4-butoxybenzoyl)carbamothioylamino]-5-iodobenzoic acid.
Chemical Property Profile of 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
Property Insights of 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
The XLogP value of 4.2951 indicates that 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid. Following Lipinski's Rule of Five, 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid has 3 hydrogen bond donor(s) and 4 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 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The CAS number of 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is 531544-53-3.
What is the molecular formula of 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The molecular formula of 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is C19H19IN2O4S.
What is the molecular weight of 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The molecular weight of 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is 498.01 g/mol.
Where can I buy 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
You can request a quote for 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(4-Butoxybenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.