Benzyl 2-chloro-4-nitrobenzoate
TL;DR: Benzyl 2-chloro-4-nitrobenzoate (CAS 250790-07-9) is a chemical compound with molecular formula C14H10ClNO4 and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-chloro-4-nitrobenzoate
Also Known As: benzyl 2-chloro-4-nitrobenzoate, Phenylmethyl 2-chloro-4-nitrobenzoate, Benzoic acid, 2-chloro-4-nitro-, phenylmethyl ester, Benzoic acid,2-chloro-4-nitro-,phenylmethyl ester
| Molecular Formula | C14H10ClNO4 |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 3.6052 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.02985 |
| Heavy Atoms | 20 |
| Complexity | 642.8771 |
Chemical Identifiers
| CAS Number | 250790-07-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
Benzyl 2-chloro-4-nitrobenzoate (CAS 250790-07-9), with molecular formula C14H10ClNO4 and molecular weight 291.03 g/mol. IUPAC: benzyl 2-chloro-4-nitrobenzoate.
Chemical Property Profile of Benzyl 2-chloro-4-nitrobenzoate
Property Insights of Benzyl 2-chloro-4-nitrobenzoate
The XLogP value of 3.6052 indicates that Benzyl 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 Benzyl 2-chloro-4-nitrobenzoate. Following Lipinski's Rule of Five, Benzyl 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 Benzyl 2-chloro-4-nitrobenzoate?
The CAS number of Benzyl 2-chloro-4-nitrobenzoate is 250790-07-9.
What is the molecular formula of Benzyl 2-chloro-4-nitrobenzoate?
The molecular formula of Benzyl 2-chloro-4-nitrobenzoate is C14H10ClNO4.
What is the molecular weight of Benzyl 2-chloro-4-nitrobenzoate?
The molecular weight of Benzyl 2-chloro-4-nitrobenzoate is 291.03 g/mol.
Where can I buy Benzyl 2-chloro-4-nitrobenzoate?
You can request a quote for Benzyl 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 Benzyl 2-chloro-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-chloro-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.