1-Sec-butyl-2-chloro-3,5-dinitrobenzene
TL;DR: 1-Sec-butyl-2-chloro-3,5-dinitrobenzene (CAS 19921-90-5) is a chemical compound with molecular formula C10H11ClN2O4 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-2-chloro-3,5-dinitrobenzene
Also Known As: 1-sec-butyl-2-chloro-3,5-dinitrobenzene, 1-butan-2-yl-2-chloro-3,5-dinitrobenzene, 1-butan-2-yl-2-chloro-3,5-dinitro-benzene, 1-(Butan-2-yl)-2-chloro-3,5-dinitrobenzene, 2-Chloro-1-(1-methylpropyl)-3,5-dinitrobenzene
| Molecular Formula | C10H11ClN2O4 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 3.6699 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.04074 |
| Heavy Atoms | 17 |
| Complexity | 475.61887 |
Chemical Identifiers
| CAS Number | 19921-90-5 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
1-Sec-butyl-2-chloro-3,5-dinitrobenzene (CAS 19921-90-5), with molecular formula C10H11ClN2O4 and molecular weight 258.04 g/mol. IUPAC: 1-butan-2-yl-2-chloro-3,5-dinitrobenzene.
Chemical Property Profile of 1-Sec-butyl-2-chloro-3,5-dinitrobenzene
Property Insights of 1-Sec-butyl-2-chloro-3,5-dinitrobenzene
The XLogP value of 3.6699 indicates that 1-Sec-butyl-2-chloro-3,5-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Sec-butyl-2-chloro-3,5-dinitrobenzene. Following Lipinski's Rule of Five, 1-Sec-butyl-2-chloro-3,5-dinitrobenzene 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 1-Sec-butyl-2-chloro-3,5-dinitrobenzene?
The CAS number of 1-Sec-butyl-2-chloro-3,5-dinitrobenzene is 19921-90-5.
What is the molecular formula of 1-Sec-butyl-2-chloro-3,5-dinitrobenzene?
The molecular formula of 1-Sec-butyl-2-chloro-3,5-dinitrobenzene is C10H11ClN2O4.
What is the molecular weight of 1-Sec-butyl-2-chloro-3,5-dinitrobenzene?
The molecular weight of 1-Sec-butyl-2-chloro-3,5-dinitrobenzene is 258.04 g/mol.
Where can I buy 1-Sec-butyl-2-chloro-3,5-dinitrobenzene?
You can request a quote for 1-Sec-butyl-2-chloro-3,5-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Sec-butyl-2-chloro-3,5-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Sec-butyl-2-chloro-3,5-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.