2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)
TL;DR: 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) (CAS 22684-78-2) is a chemical compound with molecular formula C18H30ClNO4 and molecular weight 359.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-butoxy-3-methoxybenzoyl)oxyethyl-butylazanium chloride
Also Known As: 2-(2-butoxy-3-methoxybenzoyl)oxyethyl-butylazanium chloride, 2-Butoxy-3-methoxybenzoic acid hydrochloride, 2-(butylamino)ethyl ester, BENZOIC ACID, 2-BUTOXY-3-METHOXY-, 2-(BUTYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1), RefChem:1061510
| Molecular Formula | C18H30ClNO4 |
|---|---|
| Molecular Weight | 359.19 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 359.18634 |
| Heavy Atoms | 24 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 22684-78-2 |
|---|---|
| SMILES | CCCC[NH2+]CCOC(=O)C1=C(C(=CC=C1)OC)OCCCC.[Cl-] |
| InChIKey | MBGTZOAOUKGRQG-UHFFFAOYSA-N |
Product Overview
2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) (CAS 22684-78-2), with molecular formula C18H30ClNO4 and molecular weight 359.19 g/mol. IUPAC: 2-(2-butoxy-3-methoxybenzoyl)oxyethyl-butylazanium chloride.
Chemical Property Profile of 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)
Property Insights of 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)
The XLogP value of -0.6 indicates that 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 2-(Butylamino)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-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) is 22684-78-2.
What is the molecular formula of 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) is C18H30ClNO4.
What is the molecular weight of 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) is 359.19 g/mol.
Where can I buy 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Butylamino)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-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.