4-Formyl-2-methoxy-5-nitrophenyl acetate
TL;DR: 4-Formyl-2-methoxy-5-nitrophenyl acetate (CAS 84333-01-7) is a chemical compound with molecular formula C10H9NO6 and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-methoxy-5-nitrophenyl) acetate
Also Known As: 4-formyl-2-methoxy-5-nitrophenyl acetate, (4-formyl-2-methoxy-5-nitrophenyl) acetate, 4-acetoxy-5-methoxy-2-nitro-benzaldehyde, benzaldehyde, 4-(acetyloxy)-5-methoxy-2-nitro-, InChI=1/C10H9NO6/c1-6(13)17-10-4-8(11(14)15)7(5-12)3-9(10)16-2/h3-5H,1-2H
| Molecular Formula | C10H9NO6 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.04298 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 84333-01-7 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C(=C1)[N+](=O)[O-])C=O)OC |
| InChIKey | GLJVINKWEKHUIK-UHFFFAOYSA-N |
Product Overview
4-Formyl-2-methoxy-5-nitrophenyl acetate (CAS 84333-01-7), with molecular formula C10H9NO6 and molecular weight 239.04 g/mol. IUPAC: (4-formyl-2-methoxy-5-nitrophenyl) acetate.
Chemical Property Profile of 4-Formyl-2-methoxy-5-nitrophenyl acetate
Property Insights of 4-Formyl-2-methoxy-5-nitrophenyl acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formyl-2-methoxy-5-nitrophenyl acetate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Formyl-2-methoxy-5-nitrophenyl acetate. Following Lipinski's Rule of Five, 4-Formyl-2-methoxy-5-nitrophenyl acetate 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 4-Formyl-2-methoxy-5-nitrophenyl acetate?
The CAS number of 4-Formyl-2-methoxy-5-nitrophenyl acetate is 84333-01-7.
What is the molecular formula of 4-Formyl-2-methoxy-5-nitrophenyl acetate?
The molecular formula of 4-Formyl-2-methoxy-5-nitrophenyl acetate is C10H9NO6.
What is the molecular weight of 4-Formyl-2-methoxy-5-nitrophenyl acetate?
The molecular weight of 4-Formyl-2-methoxy-5-nitrophenyl acetate is 239.04 g/mol.
Where can I buy 4-Formyl-2-methoxy-5-nitrophenyl acetate?
You can request a quote for 4-Formyl-2-methoxy-5-nitrophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formyl-2-methoxy-5-nitrophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formyl-2-methoxy-5-nitrophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.