![3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid structure](/static/products/5329/532977-81-4.webp)
3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid
TL;DR: 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid (CAS 532977-81-4) is a chemical compound with molecular formula C16H11Cl2N3O5S and molecular weight 426.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid, 3,5-dichloro-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid, 3,5-Dichloro-2-[[[(3-methyl-4-nitrobenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C16H11Cl2N3O5S |
|---|---|
| Molecular Weight | 426.98 g/mol |
| LogP | 4.03502 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.97964 |
| Heavy Atoms | 27 |
| Complexity | 980.7684 |
Chemical Identifiers
| CAS Number | 532977-81-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O)[N+](=O)[O-] |
Product Overview
3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid (CAS 532977-81-4), with molecular formula C16H11Cl2N3O5S and molecular weight 426.98 g/mol. IUPAC: 3,5-dichloro-2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid
Property Insights of 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid
The XLogP value of 4.03502 indicates that 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]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-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid. Following Lipinski's Rule of Five, 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid has 3 hydrogen bond donor(s) and 5 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 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid?
The CAS number of 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid is 532977-81-4.
What is the molecular formula of 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid?
The molecular formula of 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid is C16H11Cl2N3O5S.
What is the molecular weight of 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid?
The molecular weight of 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid is 426.98 g/mol.
Where can I buy 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid?
You can request a quote for 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]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-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dichloro-2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.