2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride
TL;DR: 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride (CAS 77966-77-9) 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.
[2-(N-butyl-2,6-dimethylanilino)-2-oxoethyl]-ethylazanium chloride
Also Known As: C 3164, N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride, 2',6'-ACETOXYLIDIDE, N-BUTYL-2-(ETHYLAMINO)-, HYDROCHLORIDE, [2-(N-butyl-2,6-dimethylanilino)-2-oxoethyl]-ethylazanium chloride, [2-(N-butyl-2,6-dimethylanilino)-2-oxoethyl]-ethylazanium,chloride
| Molecular Formula | C16H27ClN2O |
|---|---|
| Molecular Weight | 298.18 g/mol |
| LogP | -0.98 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.18118 |
| Heavy Atoms | 20 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 77966-77-9 |
|---|---|
| SMILES | CCCCN(C1=C(C=CC=C1C)C)C(=O)C[NH2+]CC.[Cl-] |
| InChIKey | VMPGCEHXSCPZRV-UHFFFAOYSA-N |
Product Overview
2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride (CAS 77966-77-9), with molecular formula C16H27ClN2O and molecular weight 298.18 g/mol. IUPAC: [2-(N-butyl-2,6-dimethylanilino)-2-oxoethyl]-ethylazanium chloride.
Chemical Property Profile of 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride
Property Insights of 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride
The XLogP value of -0.98 indicates that 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.9 Ų, 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride has 1 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'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride?
The CAS number of 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride is 77966-77-9.
What is the molecular formula of 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride?
The molecular formula of 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride is C16H27ClN2O.
What is the molecular weight of 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride?
The molecular weight of 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride is 298.18 g/mol.
Where can I buy 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride?
You can request a quote for 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, 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'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.