Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide
TL;DR: Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide (CAS 23966-69-0) is a chemical compound with molecular formula C17H28INO4 and molecular weight 437.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-butoxy-3-methoxybenzoate;iodomethane
Also Known As: Choline, iodide, 2-butoxy-3-methoxybenzoate, 2-Butoxy-3-methoxybenzoic acid methyliodide, 2-(dimethylamino)ethyl ester, BENZOIC ACID, 2-BUTOXY-3-METHOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, METHYLIODIDE, 2-dimethylaminoethyl 2-butoxy-3-methoxybenzoate; iodomethane, 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--iodomethane (1/1)
| Molecular Formula | C17H28INO4 |
|---|---|
| Molecular Weight | 437.11 g/mol |
| LogP | 3.64 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.10632 |
| Heavy Atoms | 23 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 23966-69-0 |
|---|---|
| SMILES | CCCCOC1=C(C=CC=C1OC)C(=O)OCCN(C)C.CI |
| InChIKey | AOQRGHOMWDKWEI-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide (CAS 23966-69-0), with molecular formula C17H28INO4 and molecular weight 437.11 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-butoxy-3-methoxybenzoate;iodomethane.
Chemical Property Profile of Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide
Property Insights of Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide
The XLogP value of 3.64 indicates that Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide has 0 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 Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide?
The CAS number of Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide is 23966-69-0.
What is the molecular formula of Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide?
The molecular formula of Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide is C17H28INO4.
What is the molecular weight of Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide?
The molecular weight of Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide is 437.11 g/mol.
Where can I buy Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide?
You can request a quote for Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.