1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride
TL;DR: 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride (CAS 5534-08-7) is a chemical compound with molecular formula C20H26ClNO4 and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride
Also Known As: BIM-0022955.P001, 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride, 1-(3,4-Dihydro-1H-2-benzopyran-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine--hydrogen chloride (1/1), 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine hydrochloride
| Molecular Formula | C20H26ClNO4 |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 3.5378 |
| Topological Polar Surface Area | 48.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.15503 |
| Heavy Atoms | 26 |
| Complexity | 722.9525 |
Chemical Identifiers
| CAS Number | 5534-08-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CNCC2C3=CC=CC=C3CCO2)OC)OC.Cl |
Product Overview
1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride (CAS 5534-08-7), with molecular formula C20H26ClNO4 and molecular weight 379.16 g/mol. IUPAC: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine;hydrochloride.
Chemical Property Profile of 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride
Property Insights of 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride
The XLogP value of 3.5378 indicates that 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.95 Ų, 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride 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 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride?
The CAS number of 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride is 5534-08-7.
What is the molecular formula of 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride?
The molecular formula of 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride is C20H26ClNO4.
What is the molecular weight of 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride?
The molecular weight of 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride is 379.16 g/mol.
Where can I buy 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride?
You can request a quote for 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(isochroman-1-yl)-N-(2,4,5-trimethoxybenzyl)methanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.