丁酸4,6-二硝基邻甲酚酯
TL;DR: 丁酸4,6-二硝基邻甲酚酯 (CAS 63867-15-2) is a chemical compound with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸4,6-二硝基邻甲酚酯
(2-methyl-4,6-dinitrophenyl) butanoate
Also Known As: 4,6-Dinitro-o-cresol butyrate, 2-methyl-4,6-dinitrophenyl butanoate, Butanoic acid,6-dinitrophenyl ester, (2-methyl-4,6-dinitrophenyl) butanoate, BUTYRIC ACID, ester with 4,6-DINITRO-o-CRESOL
| Molecular Formula | C11H12N2O6 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.06955 |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 63867-15-2 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C=C(C=C1C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GQHIYWICVGCZRB-UHFFFAOYSA-N |
Product Overview
丁酸4,6-二硝基邻甲酚酯 (CAS 63867-15-2), with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol. IUPAC: (2-methyl-4,6-dinitrophenyl) butanoate.
Chemical Property Profile of 丁酸4,6-二硝基邻甲酚酯
Property Insights of 丁酸4,6-二硝基邻甲酚酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁酸4,6-二硝基邻甲酚酯. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁酸4,6-二硝基邻甲酚酯. Following Lipinski's Rule of Five, 丁酸4,6-二硝基邻甲酚酯 has 0 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 丁酸4,6-二硝基邻甲酚酯?
The CAS number of 丁酸4,6-二硝基邻甲酚酯 is 63867-15-2.
What is the molecular formula of 丁酸4,6-二硝基邻甲酚酯?
The molecular formula of 丁酸4,6-二硝基邻甲酚酯 is C11H12N2O6.
What is the molecular weight of 丁酸4,6-二硝基邻甲酚酯?
The molecular weight of 丁酸4,6-二硝基邻甲酚酯 is 268.07 g/mol.
Where can I buy 丁酸4,6-二硝基邻甲酚酯?
You can request a quote for 丁酸4,6-二硝基邻甲酚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸4,6-二硝基邻甲酚酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸4,6-二硝基邻甲酚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.