2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate
TL;DR: 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate (CAS 618443-96-2) is a chemical compound with molecular formula C15H12ClNO4 and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethylphenyl) 2-chloro-4-nitrobenzoate
Also Known As: 2,5-dimethylphenyl 2-chloro-4-nitrobenzoate, (2,5-dimethylphenyl) 2-chloro-4-nitrobenzoate, (2,5-dimethylphenyl) 2-chloro-4-nitro-benzoate, 644-895-1, RefChem:444589
| Molecular Formula | C15H12ClNO4 |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 4.08424 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.04547 |
| Heavy Atoms | 21 |
| Complexity | 727.6087 |
Chemical Identifiers
| CAS Number | 618443-96-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate (CAS 618443-96-2), with molecular formula C15H12ClNO4 and molecular weight 305.05 g/mol. IUPAC: (2,5-dimethylphenyl) 2-chloro-4-nitrobenzoate.
Chemical Property Profile of 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate
Property Insights of 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate
The XLogP value of 4.08424 indicates that 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate. Following Lipinski's Rule of Five, 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate 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 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate?
The CAS number of 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate is 618443-96-2.
What is the molecular formula of 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate?
The molecular formula of 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate is C15H12ClNO4.
What is the molecular weight of 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate?
The molecular weight of 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate is 305.05 g/mol.
Where can I buy 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate?
You can request a quote for 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylphenyl 2-chloro-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.