![2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid structure](/static/products/5301/530153-22-1.webp)
2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid
TL;DR: 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid (CAS 530153-22-1) is a chemical compound with molecular formula C17H14IN3O6S and molecular weight 514.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid, 2-[[[ AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOICACID, 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoi, 2-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-5-iodo-benzoic Acid, 2-{[(4-Ethoxy-3-nitrobenzoyl)carbamothioyl]amino}-5-iodobenzoic acid
| Molecular Formula | C17H14IN3O6S |
|---|---|
| Molecular Weight | 514.96 g/mol |
| LogP | 3.4231 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.9648 |
| Heavy Atoms | 28 |
| Complexity | 965.90405 |
Chemical Identifiers
| CAS Number | 530153-22-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)[N+](=O)[O-] |
Product Overview
2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid (CAS 530153-22-1), with molecular formula C17H14IN3O6S and molecular weight 514.96 g/mol. IUPAC: 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid.
Chemical Property Profile of 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid
Property Insights of 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid
The XLogP value of 3.4231 indicates that 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid. Following Lipinski's Rule of Five, 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid?
The CAS number of 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid is 530153-22-1.
What is the molecular formula of 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid?
The molecular formula of 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid is C17H14IN3O6S.
What is the molecular weight of 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid?
The molecular weight of 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid is 514.96 g/mol.
Where can I buy 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid?
You can request a quote for 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic 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-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.