![Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate structure](/static/products/3008/300815-45-6.webp)
Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate
TL;DR: Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate (CAS 300815-45-6) is a chemical compound with molecular formula C13H17N3O6 and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(2,4-dinitroanilino)butanoate
Also Known As: propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate, isopropyl 4-((2,4-dinitrophenyl)amino)butanoate, BAS 00312282, propan-2-yl 4-(2,4-dinitroanilino)butanoate, methylethyl 4-[(2,4-dinitrophenyl)amino]butanoate
| Molecular Formula | C13H17N3O6 |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 2.6467 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.11172 |
| Heavy Atoms | 22 |
| Complexity | 572.8939 |
Chemical Identifiers
| CAS Number | 300815-45-6 |
|---|---|
| SMILES | CC(C)OC(=O)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate (CAS 300815-45-6), with molecular formula C13H17N3O6 and molecular weight 311.11 g/mol. IUPAC: propan-2-yl 4-(2,4-dinitroanilino)butanoate.
Chemical Property Profile of Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate
Property Insights of Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate
The XLogP value of 2.6467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate. Following Lipinski's Rule of Five, Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate has 1 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 Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate?
The CAS number of Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate is 300815-45-6.
What is the molecular formula of Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate?
The molecular formula of Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate is C13H17N3O6.
What is the molecular weight of Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate?
The molecular weight of Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate is 311.11 g/mol.
Where can I buy Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate?
You can request a quote for Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.