![[Cyano-(4-nitrophenyl)methyl] methyl carbonate structure](/static/products/6686/66867-30-9.webp)
[Cyano-(4-nitrophenyl)methyl] methyl carbonate
TL;DR: [Cyano-(4-nitrophenyl)methyl] methyl carbonate (CAS 66867-30-9) is a chemical compound with molecular formula C10H8N2O5 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(4-nitrophenyl)methyl] methyl carbonate
Also Known As: [cyano-(4-nitrophenyl)methyl] methyl carbonate|Cyano(4-nitrophenyl)methyl methyl carbonate
| Molecular Formula | C10H8N2O5 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.04332 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 66867-30-9 |
|---|---|
| SMILES | COC(=O)OC(C#N)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BJJOMBSVFAMVSA-UHFFFAOYSA-N |
Product Overview
[Cyano-(4-nitrophenyl)methyl] methyl carbonate (CAS 66867-30-9), with molecular formula C10H8N2O5 and molecular weight 236.04 g/mol. IUPAC: [cyano-(4-nitrophenyl)methyl] methyl carbonate.
Chemical Property Profile of [Cyano-(4-nitrophenyl)methyl] methyl carbonate
Property Insights of [Cyano-(4-nitrophenyl)methyl] methyl carbonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Cyano-(4-nitrophenyl)methyl] methyl carbonate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [Cyano-(4-nitrophenyl)methyl] methyl carbonate. Following Lipinski's Rule of Five, [Cyano-(4-nitrophenyl)methyl] methyl carbonate 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 [Cyano-(4-nitrophenyl)methyl] methyl carbonate?
The CAS number of [Cyano-(4-nitrophenyl)methyl] methyl carbonate is 66867-30-9.
What is the molecular formula of [Cyano-(4-nitrophenyl)methyl] methyl carbonate?
The molecular formula of [Cyano-(4-nitrophenyl)methyl] methyl carbonate is C10H8N2O5.
What is the molecular weight of [Cyano-(4-nitrophenyl)methyl] methyl carbonate?
The molecular weight of [Cyano-(4-nitrophenyl)methyl] methyl carbonate is 236.04 g/mol.
Where can I buy [Cyano-(4-nitrophenyl)methyl] methyl carbonate?
You can request a quote for [Cyano-(4-nitrophenyl)methyl] methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Cyano-(4-nitrophenyl)methyl] methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for [Cyano-(4-nitrophenyl)methyl] methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.