![4-[(Butan-2-yl)amino]-3-nitrobenzamide structure](/static/products/852/852385-66-1.png)
4-[(Butan-2-yl)amino]-3-nitrobenzamide
TL;DR: 4-[(Butan-2-yl)amino]-3-nitrobenzamide (CAS 852385-66-1) is a chemical compound with molecular formula C11H15N3O3 and molecular weight 237.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(butan-2-ylamino)-3-nitrobenzamide
Also Known As: 4-[(butan-2-yl)amino]-3-nitrobenzamide, 4-(butan-2-ylamino)-3-nitrobenzamide, 3-nitro-4-(sec-butylamino)benzamide
| Molecular Formula | C11H15N3O3 |
|---|---|
| Molecular Weight | 237.11 g/mol |
| LogP | 1.9041 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.11134 |
| Heavy Atoms | 17 |
| Complexity | 445.58783 |
Chemical Identifiers
| CAS Number | 852385-66-1 |
|---|---|
| SMILES | CCC(C)NC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-] |
Product Overview
4-[(Butan-2-yl)amino]-3-nitrobenzamide (CAS 852385-66-1), with molecular formula C11H15N3O3 and molecular weight 237.11 g/mol. IUPAC: 4-(butan-2-ylamino)-3-nitrobenzamide.
Chemical Property Profile of 4-[(Butan-2-yl)amino]-3-nitrobenzamide
Property Insights of 4-[(Butan-2-yl)amino]-3-nitrobenzamide
The XLogP value of 1.9041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Butan-2-yl)amino]-3-nitrobenzamide. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Butan-2-yl)amino]-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-[(Butan-2-yl)amino]-3-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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 4-[(Butan-2-yl)amino]-3-nitrobenzamide?
The CAS number of 4-[(Butan-2-yl)amino]-3-nitrobenzamide is 852385-66-1.
What is the molecular formula of 4-[(Butan-2-yl)amino]-3-nitrobenzamide?
The molecular formula of 4-[(Butan-2-yl)amino]-3-nitrobenzamide is C11H15N3O3.
What is the molecular weight of 4-[(Butan-2-yl)amino]-3-nitrobenzamide?
The molecular weight of 4-[(Butan-2-yl)amino]-3-nitrobenzamide is 237.11 g/mol.
Where can I buy 4-[(Butan-2-yl)amino]-3-nitrobenzamide?
You can request a quote for 4-[(Butan-2-yl)amino]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Butan-2-yl)amino]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Butan-2-yl)amino]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.