2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride
TL;DR: 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride (CAS 77985-21-8) is a chemical compound with molecular formula C16H27ClN2O and molecular weight 298.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,6-dimethylanilino)-4-oxobutan-2-yl]-diethylazanium chloride
Also Known As: C 5125, 3-(Diethylamino)-2',6'-butyroxylidide hydrochloride, 2',6'-BUTYROXYLIDIDE, 3-(DIETHYLAMINO)-, HYDROCHLORIDE, [4-(2,6-dimethylanilino)-4-oxobutan-2-yl]-diethylazanium chloride, [4-[(2,6-dimethylphenyl)amino]-4-oxobutan-2-yl]-diethylazanium chloride
| Molecular Formula | C16H27ClN2O |
|---|---|
| Molecular Weight | 298.18 g/mol |
| LogP | -1.05 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.18118 |
| Heavy Atoms | 20 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 77985-21-8 |
|---|---|
| SMILES | CC[NH+](CC)C(C)CC(=O)NC1=C(C=CC=C1C)C.[Cl-] |
| InChIKey | RQQNLOPLFGLPCI-UHFFFAOYSA-N |
Product Overview
2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride (CAS 77985-21-8), with molecular formula C16H27ClN2O and molecular weight 298.18 g/mol. IUPAC: [4-(2,6-dimethylanilino)-4-oxobutan-2-yl]-diethylazanium chloride.
Chemical Property Profile of 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride
Property Insights of 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride
The XLogP value of -1.05 indicates that 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.5 Ų, 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride has 2 hydrogen bond donor(s) and 2 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 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride?
The CAS number of 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride is 77985-21-8.
What is the molecular formula of 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride?
The molecular formula of 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride is C16H27ClN2O.
What is the molecular weight of 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride?
The molecular weight of 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride is 298.18 g/mol.
Where can I buy 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride?
You can request a quote for 2',6'-Butyroxylidide, 3-(diethylamino)-, 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'-Butyroxylidide, 3-(diethylamino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2',6'-Butyroxylidide, 3-(diethylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.