2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)
TL;DR: 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) (CAS 23959-17-3) is a chemical compound with molecular formula C16H26ClNO4 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-butoxy-3-methoxybenzoyl)oxyethyl-dimethylazanium chloride
Also Known As: 2-(2-butoxy-3-methoxybenzoyl)oxyethyl-dimethylazanium chloride, 2-Butoxy-3-methoxybenzoic acid hydrochloride, 2-(dimethylamino)ethyl ester, BENZOIC ACID, 2-BUTOXY-3-METHOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1), Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester hydrochloride
| Molecular Formula | C16H26ClNO4 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | -1.82 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 331.15503 |
| Heavy Atoms | 22 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 23959-17-3 |
|---|---|
| SMILES | CCCCOC1=C(C=CC=C1OC)C(=O)OCC[NH+](C)C.[Cl-] |
| InChIKey | YZFFIXWTRCZRMX-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) (CAS 23959-17-3), with molecular formula C16H26ClNO4 and molecular weight 331.16 g/mol. IUPAC: 2-(2-butoxy-3-methoxybenzoyl)oxyethyl-dimethylazanium chloride.
Chemical Property Profile of 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)
Property Insights of 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)
The XLogP value of -1.82 indicates that 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.2 Ų, 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 5 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-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) is 23959-17-3.
What is the molecular formula of 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) is C16H26ClNO4.
What is the molecular weight of 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) is 331.16 g/mol.
Where can I buy 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.