4-Chloro-6-nitro-o-cresyl acetate
TL;DR: 4-Chloro-6-nitro-o-cresyl acetate (CAS 848258-75-3) is a chemical compound with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2-methyl-6-nitrophenyl) acetate
Also Known As: 4-Chloro-6-nitro-o-cresyl acetate, EINECS 284-253-4, 4-chloro-2-methyl-6-nitrophenyl acetate, (4-chloro-2-methyl-6-nitrophenyl) acetate, 4-Chloro-2-methyl-6-nitrophenol acetate
| Molecular Formula | C9H8ClNO4 |
|---|---|
| Molecular Weight | 229.01 g/mol |
| LogP | 2.48192 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.01419 |
| Heavy Atoms | 15 |
| Complexity | 430.36566 |
Chemical Identifiers
| CAS Number | 848258-75-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])Cl |
Product Overview
4-Chloro-6-nitro-o-cresyl acetate (CAS 848258-75-3), with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol. IUPAC: (4-chloro-2-methyl-6-nitrophenyl) acetate.
Chemical Property Profile of 4-Chloro-6-nitro-o-cresyl acetate
Property Insights of 4-Chloro-6-nitro-o-cresyl acetate
The XLogP value of 2.48192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-6-nitro-o-cresyl acetate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-6-nitro-o-cresyl acetate. Following Lipinski's Rule of Five, 4-Chloro-6-nitro-o-cresyl 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 4-Chloro-6-nitro-o-cresyl acetate?
The CAS number of 4-Chloro-6-nitro-o-cresyl acetate is 848258-75-3.
What is the molecular formula of 4-Chloro-6-nitro-o-cresyl acetate?
The molecular formula of 4-Chloro-6-nitro-o-cresyl acetate is C9H8ClNO4.
What is the molecular weight of 4-Chloro-6-nitro-o-cresyl acetate?
The molecular weight of 4-Chloro-6-nitro-o-cresyl acetate is 229.01 g/mol.
Where can I buy 4-Chloro-6-nitro-o-cresyl acetate?
You can request a quote for 4-Chloro-6-nitro-o-cresyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-6-nitro-o-cresyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-nitro-o-cresyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.