1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine
TL;DR: 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine (CAS 418780-29-7) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
Also Known As: 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine, (1,3-benzodioxol-5-ylmethyl)(2,4,5-trimethoxybenzyl)amine, 1,3-benzodioxol-5-yl-N-(2,4,5-trimethoxybenzyl)methanamine, 1-(1,3-benzodioxol-5-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine, 1-benzo[1,3]dioxol-5-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.7309 |
| Topological Polar Surface Area | 58.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 716.7956 |
Chemical Identifiers
| CAS Number | 418780-29-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CNCC2=CC3=C(C=C2)OCO3)OC)OC |
Product Overview
1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine (CAS 418780-29-7), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine
Property Insights of 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine
The XLogP value of 2.7309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine. With a topological polar surface area (TPSA) of 58.18 Ų, 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine has 1 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 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine?
The CAS number of 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine is 418780-29-7.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine is C18H21NO5.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine is 331.14 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-N-(2,4,5-trimethoxybenzyl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.