![4-[(3,5-Dinitrobenzoyl)amino]butanoic acid structure](/static/products/1022/102202-82-4.webp)
4-[(3,5-Dinitrobenzoyl)amino]butanoic acid
TL;DR: 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid (CAS 102202-82-4) is a chemical compound with molecular formula C11H11N3O7 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dinitrobenzoyl)amino]butanoic acid
Also Known As: 4-(3,5-Dinitro-benzoylamino)-butyric acid, 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid, BAS 00005184, 4-(3,5-Dinitro-benzoylamino)-butyricacid, 4-(3,5-Dinitrobenzamido)butyric acid
| Molecular Formula | C11H11N3O7 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.0597 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 102202-82-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCC(=O)O |
| InChIKey | QIMSXEQJVQJYSC-UHFFFAOYSA-N |
Product Overview
4-[(3,5-Dinitrobenzoyl)amino]butanoic acid (CAS 102202-82-4), with molecular formula C11H11N3O7 and molecular weight 297.06 g/mol. IUPAC: 4-[(3,5-dinitrobenzoyl)amino]butanoic acid.
Chemical Property Profile of 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid
Property Insights of 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid. The TPSA of 158.0 Ų indicates high polarity, suggesting 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid has 2 hydrogen bond donor(s) and 7 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-[(3,5-Dinitrobenzoyl)amino]butanoic acid?
The CAS number of 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid is 102202-82-4.
What is the molecular formula of 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid?
The molecular formula of 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid is C11H11N3O7.
What is the molecular weight of 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid?
The molecular weight of 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid is 297.06 g/mol.
Where can I buy 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid?
You can request a quote for 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,5-Dinitrobenzoyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.