4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate
TL;DR: 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate (CAS 330983-16-9) is a chemical compound with molecular formula C16H12N2O8 and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-methoxyphenyl) 4-methyl-3,5-dinitrobenzoate
Also Known As: 4-formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate, BAS 00319207, (4-formyl-2-methoxyphenyl) 4-methyl-3,5-dinitrobenzoate, 4-formyl-2-methoxyphenyl 4-methyl-3,5-dinitrobenzoate, 4-Methyl-3,5-dinitro-benzoic acid 4-formyl-2-methoxy-phenyl ester
| Molecular Formula | C16H12N2O8 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 2.85172 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.05936 |
| Heavy Atoms | 26 |
| Complexity | 887.45605 |
Chemical Identifiers
| CAS Number | 330983-16-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)C=O)OC)[N+](=O)[O-] |
Product Overview
4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate (CAS 330983-16-9), with molecular formula C16H12N2O8 and molecular weight 360.06 g/mol. IUPAC: (4-formyl-2-methoxyphenyl) 4-methyl-3,5-dinitrobenzoate.
Chemical Property Profile of 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate
Property Insights of 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate
The XLogP value of 2.85172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate. Following Lipinski's Rule of Five, 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate has 0 hydrogen bond donor(s) and 8 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-methoxyphenyl 3,5-bisnitro-4-methylbenzoate?
The CAS number of 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate is 330983-16-9.
What is the molecular formula of 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate?
The molecular formula of 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate is C16H12N2O8.
What is the molecular weight of 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate?
The molecular weight of 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate is 360.06 g/mol.
Where can I buy 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate?
You can request a quote for 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate 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-methoxyphenyl 3,5-bisnitro-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formyl-2-methoxyphenyl 3,5-bisnitro-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.