(1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
TL;DR: (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) (CAS 18429-74-8) is a chemical compound with molecular formula C14H17ClN2O5 and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride
Also Known As: 3,4,5-Trimethoxybenzoic acid imidazol-4-ylmethyl ester hydrochloride, 1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride, BENZOIC ACID, 3,4,5-TRIMETHOXY-, IMIDAZOL-4-YLMETHYL ESTER, MONOHYDROCHLORIDE, Imidazole-4-methanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride, (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
| Molecular Formula | C14H17ClN2O5 |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | -1.78 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.0826 |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 18429-74-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=C[NH+]=CN2.[Cl-] |
| InChIKey | LLFHOORQLLXOOM-UHFFFAOYSA-N |
Product Overview
(1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) (CAS 18429-74-8), with molecular formula C14H17ClN2O5 and molecular weight 328.08 g/mol. IUPAC: 1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride.
Chemical Property Profile of (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Property Insights of (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
The XLogP value of -1.78 indicates that (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 6 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 (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
The CAS number of (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is 18429-74-8.
What is the molecular formula of (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is C14H17ClN2O5.
What is the molecular weight of (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is 328.08 g/mol.
Where can I buy (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--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 (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.