![N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide structure](/static/products/3152/315239-63-5.webp)
N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide
TL;DR: N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide (CAS 315239-63-5) is a chemical compound with molecular formula C15H15N3O5S and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]acetamide
Also Known As: ALDH3A1-IN-3, ALD1A3 INHIBITOR CB29, US9320722, CB29, N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide, N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]acetamide
| Molecular Formula | C15H15N3O5S |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 2.7003 |
| Topological Polar Surface Area | 118.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.07324 |
| Heavy Atoms | 24 |
| Complexity | 891.82556 |
Chemical Identifiers
| CAS Number | 315239-63-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide (CAS 315239-63-5), with molecular formula C15H15N3O5S and molecular weight 349.07 g/mol. IUPAC: N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]acetamide.
Chemical Property Profile of N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide
Property Insights of N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide
The XLogP value of 2.7003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide. The TPSA of 118.41 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide. Following Lipinski's Rule of Five, N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide has 2 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 N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide?
The CAS number of N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide is 315239-63-5.
What is the molecular formula of N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide?
The molecular formula of N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide is C15H15N3O5S.
What is the molecular weight of N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide?
The molecular weight of N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide is 349.07 g/mol.
Where can I buy N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide?
You can request a quote for N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.