Degmin
TL;DR: Degmin (CAS 80433-85-8) is a chemical compound with molecular formula C25H51NO3 and molecular weight 413.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-(1-heptylazepan-1-ium-1-yl)acetate hydroxide
Also Known As: Degmin, KST-1B8675, 1-[2-(decyloxy)-2-oxoethyl]-1-heptylazepanium hydroxide, 1H-Azepinium, 1-(2-(decyloxy)-2-oxoethyl)-1-heptylhexahydro-, hydroxide, decyl 2-(1-heptylazepan-1-ium-1-yl)acetate hydroxide
| Molecular Formula | C25H51NO3 |
|---|---|
| Molecular Weight | 413.39 g/mol |
| LogP | 6.8547 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 413.3869 |
| Heavy Atoms | 29 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 80433-85-8 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+]1(CCCCCC1)CCCCCCC.[OH-] |
| InChIKey | XYVDNBKDAAXMPG-UHFFFAOYSA-M |
Product Overview
Degmin (CAS 80433-85-8), with molecular formula C25H51NO3 and molecular weight 413.39 g/mol. IUPAC: decyl 2-(1-heptylazepan-1-ium-1-yl)acetate hydroxide.
Chemical Property Profile of Degmin
Property Insights of Degmin
The XLogP value of 6.8547 indicates that Degmin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Degmin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Degmin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Degmin?
The CAS number of Degmin is 80433-85-8.
What is the molecular formula of Degmin?
The molecular formula of Degmin is C25H51NO3.
What is the molecular weight of Degmin?
The molecular weight of Degmin is 413.39 g/mol.
Where can I buy Degmin?
You can request a quote for Degmin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Degmin?
Yes, KEHONG BIO provides custom synthesis services for Degmin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.