1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1)
TL;DR: 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1) (CAS 72156-42-4) is a chemical compound with molecular formula C26H36N2O8 and molecular weight 504.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine);butanedioic acid
Also Known As: N-Isopropyl-piperonylamine succinate, N-Isopropyl-piperonylamine succinate [French], 1,3-benzodioxole-5-methanamine,n-,butanedioate, 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1), 1,3-Benzodioxole-5-methanamine,N- -,butanedioate
| Molecular Formula | C26H36N2O8 |
|---|---|
| Molecular Weight | 504.25 g/mol |
| LogP | 3.7624 |
| Topological Polar Surface Area | 135.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.24716 |
| Heavy Atoms | 36 |
| Complexity | 914.4046 |
Chemical Identifiers
| CAS Number | 72156-42-4 |
|---|---|
| SMILES | CC(C)NCC1=CC2=C(C=C1)OCO2.CC(C)NCC1=CC2=C(C=C1)OCO2.C(CC(=O)O)C(=O)O |
Product Overview
1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1) (CAS 72156-42-4), with molecular formula C26H36N2O8 and molecular weight 504.25 g/mol. IUPAC: bis(N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine);butanedioic acid.
Chemical Property Profile of 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1)
Property Insights of 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1)
The XLogP value of 3.7624 indicates that 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1). Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1)?
The CAS number of 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1) is 72156-42-4.
What is the molecular formula of 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1)?
The molecular formula of 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1) is C26H36N2O8.
What is the molecular weight of 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1)?
The molecular weight of 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1) is 504.25 g/mol.
Where can I buy 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1)?
You can request a quote for 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, butanedioate (salt) (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.