N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine
TL;DR: N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine (CAS 78982-27-1) is a chemical compound with molecular formula C12H27NO4 and molecular weight 249.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine
Also Known As: N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine
| Molecular Formula | C12H27NO4 |
|---|---|
| Molecular Weight | 249.19 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 249.19402 |
| Heavy Atoms | 17 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 78982-27-1 |
|---|---|
| SMILES | COC(CCCNCCCC(OC)OC)OC |
| InChIKey | DDQYFUIDTKXNDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine (CAS 78982-27-1), with molecular formula C12H27NO4 and molecular weight 249.19 g/mol. IUPAC: N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine.
Chemical Property Profile of N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine
Property Insights of N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine. With a topological polar surface area (TPSA) of 49.0 Ų, N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine 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 N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine?
The CAS number of N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine is 78982-27-1.
What is the molecular formula of N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine?
The molecular formula of N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine is C12H27NO4.
What is the molecular weight of N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine?
The molecular weight of N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine is 249.19 g/mol.
Where can I buy N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine?
You can request a quote for N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.