2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate
TL;DR: 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate (CAS 104756-49-2) is a chemical compound with molecular formula C19H27NO5 and molecular weight 349.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-ditert-butyl-4-methoxyphenyl) 1-nitrocyclopropane-1-carboxylate
Also Known As: 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate, (2,6-ditert-butyl-4-methoxyphenyl) 1-nitrocyclopropane-1-carboxylate, 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate #, Cyclopropanecarboxylicacid, 1-nitro-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester, 1-Nitrocyclopropanecarboxylic acid, 2,6-di-t-butyl-4-methoxy-phenyl ester
| Molecular Formula | C19H27NO5 |
|---|---|
| Molecular Weight | 349.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.18893 |
| Heavy Atoms | 25 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 104756-49-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1OC(=O)C2(CC2)[N+](=O)[O-])C(C)(C)C)OC |
| InChIKey | BANYMWIJEUJLIY-UHFFFAOYSA-N |
Product Overview
2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate (CAS 104756-49-2), with molecular formula C19H27NO5 and molecular weight 349.19 g/mol. IUPAC: (2,6-ditert-butyl-4-methoxyphenyl) 1-nitrocyclopropane-1-carboxylate.
Chemical Property Profile of 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate
Property Insights of 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate
The XLogP value of 5.3 indicates that 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate. Following Lipinski's Rule of Five, 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate?
The CAS number of 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate is 104756-49-2.
What is the molecular formula of 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate?
The molecular formula of 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate is C19H27NO5.
What is the molecular weight of 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate?
The molecular weight of 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate is 349.19 g/mol.
Where can I buy 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate?
You can request a quote for 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Ditert-butyl-4-methoxyphenyl 1-nitrocyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.