2-Methyl-1,4-dinitrobut-2-ene
TL;DR: 2-Methyl-1,4-dinitrobut-2-ene (CAS 29770-83-0) is a chemical compound with molecular formula C5H8N2O4 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,4-dinitrobut-2-ene
Also Known As: DNMB, 2-methyl-1,4-dinitrobut-2-ene, 1,4-Dinitro-2-methyl-2-butene, 2-Butene,2-methyl-1,4-dinitro-
| Molecular Formula | C5H8N2O4 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.0484 |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 29770-83-0 |
|---|---|
| SMILES | CC(=CC[N+](=O)[O-])C[N+](=O)[O-] |
| InChIKey | YWOLNFOHNPSSOE-UHFFFAOYSA-N |
Product Overview
2-Methyl-1,4-dinitrobut-2-ene (CAS 29770-83-0), with molecular formula C5H8N2O4 and molecular weight 160.05 g/mol. IUPAC: 2-methyl-1,4-dinitrobut-2-ene.
Chemical Property Profile of 2-Methyl-1,4-dinitrobut-2-ene
Property Insights of 2-Methyl-1,4-dinitrobut-2-ene
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,4-dinitrobut-2-ene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,4-dinitrobut-2-ene. Following Lipinski's Rule of Five, 2-Methyl-1,4-dinitrobut-2-ene has 0 hydrogen bond donor(s) and 4 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-Methyl-1,4-dinitrobut-2-ene?
The CAS number of 2-Methyl-1,4-dinitrobut-2-ene is 29770-83-0.
What is the molecular formula of 2-Methyl-1,4-dinitrobut-2-ene?
The molecular formula of 2-Methyl-1,4-dinitrobut-2-ene is C5H8N2O4.
What is the molecular weight of 2-Methyl-1,4-dinitrobut-2-ene?
The molecular weight of 2-Methyl-1,4-dinitrobut-2-ene is 160.05 g/mol.
Where can I buy 2-Methyl-1,4-dinitrobut-2-ene?
You can request a quote for 2-Methyl-1,4-dinitrobut-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,4-dinitrobut-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,4-dinitrobut-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.