Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate
TL;DR: Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate (CAS 294656-31-8) is a chemical compound with molecular formula C15H9ClN2O5 and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate
Also Known As: BAS 00255169, methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate, AH-034/33496012, methyl 4-{7-chloro-5-nitro-1,3-benzoxazol-2-yl}benzoate, 4-(7-Chloro-5-nitro-benzooxazol-2-yl)-benzoic acid methyl ester
| Molecular Formula | C15H9ClN2O5 |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.02 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 294656-31-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NC3=C(O2)C(=CC(=C3)[N+](=O)[O-])Cl |
| InChIKey | FUMMYJNITDWRQO-UHFFFAOYSA-N |
Product Overview
Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate (CAS 294656-31-8), with molecular formula C15H9ClN2O5 and molecular weight 332.02 g/mol. IUPAC: methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate.
Chemical Property Profile of Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate
Property Insights of Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate
The XLogP value of 3.7 indicates that Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate has 0 hydrogen bond donor(s) and 6 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 Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate?
The CAS number of Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate is 294656-31-8.
What is the molecular formula of Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate?
The molecular formula of Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate is C15H9ClN2O5.
What is the molecular weight of Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate?
The molecular weight of Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate is 332.02 g/mol.
Where can I buy Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate?
You can request a quote for Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(7-chloro-5-nitro-1,3-benzoxazol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.