1-Chloro-3-nitrobutan-2-yl acetate
TL;DR: 1-Chloro-3-nitrobutan-2-yl acetate (CAS 6298-75-5) is a chemical compound with molecular formula C6H10ClNO4 and molecular weight 195.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloro-3-nitrobutan-2-yl) acetate
Also Known As: 1-chloro-3-nitrobutan-2-yl acetate, (1-chloro-3-nitrobutan-2-yl) acetate, 2-acetoxy-1-chloro-3-nitro-butane, 2-Butanol,1-chloro-3-nitro-, 2-acetate
| Molecular Formula | C6H10ClNO4 |
|---|---|
| Molecular Weight | 195.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.02983 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 6298-75-5 |
|---|---|
| SMILES | CC(C(CCl)OC(=O)C)[N+](=O)[O-] |
| InChIKey | GZWDBGDEXHAGCY-UHFFFAOYSA-N |
Product Overview
1-Chloro-3-nitrobutan-2-yl acetate (CAS 6298-75-5), with molecular formula C6H10ClNO4 and molecular weight 195.03 g/mol. IUPAC: (1-chloro-3-nitrobutan-2-yl) acetate.
Chemical Property Profile of 1-Chloro-3-nitrobutan-2-yl acetate
Property Insights of 1-Chloro-3-nitrobutan-2-yl acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-nitrobutan-2-yl acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-3-nitrobutan-2-yl acetate. Following Lipinski's Rule of Five, 1-Chloro-3-nitrobutan-2-yl acetate 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-Chloro-3-nitrobutan-2-yl acetate?
The CAS number of 1-Chloro-3-nitrobutan-2-yl acetate is 6298-75-5.
What is the molecular formula of 1-Chloro-3-nitrobutan-2-yl acetate?
The molecular formula of 1-Chloro-3-nitrobutan-2-yl acetate is C6H10ClNO4.
What is the molecular weight of 1-Chloro-3-nitrobutan-2-yl acetate?
The molecular weight of 1-Chloro-3-nitrobutan-2-yl acetate is 195.03 g/mol.
Where can I buy 1-Chloro-3-nitrobutan-2-yl acetate?
You can request a quote for 1-Chloro-3-nitrobutan-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-nitrobutan-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-nitrobutan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.