![2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]- structure](/static/products/557/55702-40-4.png)
2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]-
TL;DR: 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]- (CAS 55702-40-4) is a chemical compound with molecular formula C14H21N3O5 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butyl-2,6-dinitroanilino)butan-2-ol
Also Known As: 2-(4-tert-Butyl-2,6-dinitroanilino)-2-butanol, 2-[[4-2,6-dinitrophenyl]amino]-2-butanol, 2-[[4- -2,6-dinitrophenyl]amino]-2-butanol, 2-(4-tert-butyl-2,6-dinitroanilino)butan-2-ol, 2-(4-tert-Butyl-2,6-dinitroanilino)-2-butanol #
| Molecular Formula | C14H21N3O5 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.14813 |
| Heavy Atoms | 22 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 55702-40-4 |
|---|---|
| SMILES | CCC(C)(NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])O |
| InChIKey | ANQPUAYIZWBBJR-UHFFFAOYSA-N |
Product Overview
2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]- (CAS 55702-40-4), with molecular formula C14H21N3O5 and molecular weight 311.15 g/mol. IUPAC: 2-(4-tert-butyl-2,6-dinitroanilino)butan-2-ol.
Chemical Property Profile of 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]-
Property Insights of 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]-
The XLogP value of 4.3 indicates that 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]-. Following Lipinski's Rule of Five, 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]- 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 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]-?
The CAS number of 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]- is 55702-40-4.
What is the molecular formula of 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]-?
The molecular formula of 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]- is C14H21N3O5.
What is the molecular weight of 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]-?
The molecular weight of 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]- is 311.15 g/mol.
Where can I buy 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]-?
You can request a quote for 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanol, 2-[[4-(1,1-dimethylethyl)-2,6-dinitrophenyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.