![5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5359/535941-70-9.webp)
5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid (CAS 535941-70-9) is a chemical compound with molecular formula C13H15IN2O3S and molecular weight 405.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-2-(pentanoylcarbamothioylamino)benzoic acid
Also Known As: 5-iodo-2-(pentanoylcarbamothioylamino)benzoic acid, 5-iodo-2-(pentanoylthiocarbamoylamino)benzoic Acid, 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl ]amino]-benzoic acid, 5-iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid
| Molecular Formula | C13H15IN2O3S |
|---|---|
| Molecular Weight | 405.98 g/mol |
| LogP | 2.9926 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.9848 |
| Heavy Atoms | 20 |
| Complexity | 534.3476 |
Chemical Identifiers
| CAS Number | 535941-70-9 |
|---|---|
| SMILES | CCCCC(=O)NC(=S)NC1=C(C=C(C=C1)I)C(=O)O |
Product Overview
5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid (CAS 535941-70-9), with molecular formula C13H15IN2O3S and molecular weight 405.98 g/mol. IUPAC: 5-iodo-2-(pentanoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 2.9926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid has 3 hydrogen bond donor(s) and 3 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 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid is 535941-70-9.
What is the molecular formula of 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid is C13H15IN2O3S.
What is the molecular weight of 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid is 405.98 g/mol.
Where can I buy 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Iodo-2-[[[(1-oxopentyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.