2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()-
TL;DR: 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()- (CAS 7047-98-5) is a chemical compound with molecular formula C28H26O5 and molecular weight 442.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate
Also Known As: 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()-, 2-[(4-Ethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate, [2-[(4-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate, [2-[(4-ethoxyphenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate, 2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-methyl-, hydrochloride, (S)-
| Molecular Formula | C28H26O5 |
|---|---|
| Molecular Weight | 442.18 g/mol |
| LogP | 6.2182 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.178 |
| Heavy Atoms | 33 |
| Complexity | 1212.6377 |
Chemical Identifiers
| CAS Number | 7047-98-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()- (CAS 7047-98-5), with molecular formula C28H26O5 and molecular weight 442.18 g/mol. IUPAC: [2-[(4-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate.
Chemical Property Profile of 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()-
Property Insights of 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()-
The XLogP value of 6.2182 indicates that 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()-. Following Lipinski's Rule of Five, 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()- 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'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()-?
The CAS number of 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()- is 7047-98-5.
What is the molecular formula of 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()-?
The molecular formula of 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()- is C28H26O5.
What is the molecular weight of 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()-?
The molecular weight of 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()- is 442.18 g/mol.
Where can I buy 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()-?
You can request a quote for 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()-?
Yes, KEHONG BIO provides custom synthesis services for 2',6'-Pipecoloxylidide, 1-methyl-, hydrochloride, ()- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.