Butane, 2-methyl-2,3,3-trinitro-
TL;DR: Butane, 2-methyl-2,3,3-trinitro- (CAS 5324-72-1) is a chemical compound with molecular formula C5H9N3O6 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2,3,3-trinitrobutane
Also Known As: Butane,3,3-trinitro-, Butane, 2-methyl-2,3,3-trinitro-, 2-METHYL-2,3,3-TRINITROBUTANE, 2-METHYL-2,3-TRINITROBUTANE, Butane,2-methyl-2,3,3-trinitro-
| Molecular Formula | C5H9N3O6 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.04913 |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 5324-72-1 |
|---|---|
| SMILES | CC(C)(C(C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PBTUMCNSHBZQLW-UHFFFAOYSA-N |
Product Overview
Butane, 2-methyl-2,3,3-trinitro- (CAS 5324-72-1), with molecular formula C5H9N3O6 and molecular weight 207.05 g/mol. IUPAC: 2-methyl-2,3,3-trinitrobutane.
Chemical Property Profile of Butane, 2-methyl-2,3,3-trinitro-
Property Insights of Butane, 2-methyl-2,3,3-trinitro-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 2-methyl-2,3,3-trinitro-. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butane, 2-methyl-2,3,3-trinitro-. Following Lipinski's Rule of Five, Butane, 2-methyl-2,3,3-trinitro- 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 Butane, 2-methyl-2,3,3-trinitro-?
The CAS number of Butane, 2-methyl-2,3,3-trinitro- is 5324-72-1.
What is the molecular formula of Butane, 2-methyl-2,3,3-trinitro-?
The molecular formula of Butane, 2-methyl-2,3,3-trinitro- is C5H9N3O6.
What is the molecular weight of Butane, 2-methyl-2,3,3-trinitro-?
The molecular weight of Butane, 2-methyl-2,3,3-trinitro- is 207.05 g/mol.
Where can I buy Butane, 2-methyl-2,3,3-trinitro-?
You can request a quote for Butane, 2-methyl-2,3,3-trinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 2-methyl-2,3,3-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 2-methyl-2,3,3-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.