![3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid structure](/static/products/5301/530138-35-3.webp)
3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid
TL;DR: 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid (CAS 530138-35-3) is a chemical compound with molecular formula C16H11I2N3O5S and molecular weight 610.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid, 3,5-DIIODO-2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3,5-diiodo-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid, 3,5-Diiodo-2-{[(3-methyl-4-nitrobenzoyl)carbamothioyl]amino}benzoic acid, 3,5-Diiodo-2-[[[(3-methyl-4-nitrobenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C16H11I2N3O5S |
|---|---|
| Molecular Weight | 610.85 g/mol |
| LogP | 3.93742 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 610.8509 |
| Heavy Atoms | 27 |
| Complexity | 980.7684 |
Chemical Identifiers
| CAS Number | 530138-35-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2I)I)C(=O)O)[N+](=O)[O-] |
Product Overview
3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid (CAS 530138-35-3), with molecular formula C16H11I2N3O5S and molecular weight 610.85 g/mol. IUPAC: 3,5-diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid
Property Insights of 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 3.93742 indicates that 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid has 3 hydrogen bond donor(s) and 5 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-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid is 530138-35-3.
What is the molecular formula of 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid is C16H11I2N3O5S.
What is the molecular weight of 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid is 610.85 g/mol.
Where can I buy 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]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-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diiodo-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.