多甲氧甲基二异丁胺
TL;DR: 多甲氧甲基二异丁胺 (CAS 50746-55-9) is a chemical compound with molecular formula C13H22 and molecular weight 178.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
多甲氧甲基二异丁胺
2,6,6-trimethyl-3-prop-2-enylbicyclo[3.1.1]heptane
Also Known As: domethoxymethyldiisobutylamine, 2,6,6-trimethyl-3-prop-2-enyl-norpinane, 4,6,6-trimethyl-3-prop-2-enylbicyclo[3.1.1]heptane, 3-Allyl-2,6,6-trimethylbicyclo[3.1.1]heptane #, 2,6,6-trimethyl-3-(prop-2-en-1-yl)bicyclo[3.1.1]heptane
| Molecular Formula | C13H22 |
|---|---|
| Molecular Weight | 178.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.17215 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 50746-55-9 |
|---|---|
| SMILES | CC1C(CC2CC1C2(C)C)CC=C |
| InChIKey | IKMZOQZLQUAFMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
多甲氧甲基二异丁胺 (CAS 50746-55-9), with molecular formula C13H22 and molecular weight 178.17 g/mol. IUPAC: 2,6,6-trimethyl-3-prop-2-enylbicyclo[3.1.1]heptane.
Chemical Property Profile of 多甲氧甲基二异丁胺
Property Insights of 多甲氧甲基二异丁胺
The XLogP value of 4.7 indicates that 多甲氧甲基二异丁胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 多甲氧甲基二异丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 多甲氧甲基二异丁胺 has 0 hydrogen bond donor(s) and 0 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 多甲氧甲基二异丁胺?
The CAS number of 多甲氧甲基二异丁胺 is 50746-55-9.
What is the molecular formula of 多甲氧甲基二异丁胺?
The molecular formula of 多甲氧甲基二异丁胺 is C13H22.
What is the molecular weight of 多甲氧甲基二异丁胺?
The molecular weight of 多甲氧甲基二异丁胺 is 178.17 g/mol.
Where can I buy 多甲氧甲基二异丁胺?
You can request a quote for 多甲氧甲基二异丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 多甲氧甲基二异丁胺?
Yes, KEHONG BIO provides custom synthesis services for 多甲氧甲基二异丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.