![2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5359/535964-32-0.webp)
2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
TL;DR: 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid (CAS 535964-32-0) is a chemical compound with molecular formula C17H15N3O6S and molecular weight 389.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 2-methyl-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid, 2-methyl-3-[[2-(2-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 2-METHYL-3-[[[[(2-NITROPHENOXY)ACETYL ]AMINO]THIOXOMETHYL ]AMINO]-BENZOIC ACID
| Molecular Formula | C17H15N3O6S |
|---|---|
| Molecular Weight | 389.07 g/mol |
| LogP | 2.49342 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.06815 |
| Heavy Atoms | 27 |
| Complexity | 915.2918 |
Chemical Identifiers
| CAS Number | 535964-32-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=CC=C2[N+](=O)[O-])C(=O)O |
Product Overview
2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid (CAS 535964-32-0), with molecular formula C17H15N3O6S and molecular weight 389.07 g/mol. IUPAC: 2-methyl-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
Property Insights of 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 2.49342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid has 3 hydrogen bond donor(s) and 6 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-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is 535964-32-0.
What is the molecular formula of 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is C17H15N3O6S.
What is the molecular weight of 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is 389.07 g/mol.
Where can I buy 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]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 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-[[[[(2-nitrophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.