Carbethopendecinium bromide
TL;DR: Carbethopendecinium bromide (CAS 14565-92-5) is a chemical compound with molecular formula C21H44BrNO2 and molecular weight 421.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethoxy-1-oxohexadecan-2-yl)-trimethylazanium bromide
Also Known As: Septonex, Carbaethopendecine bromide, Carbethopendecinium bromide, Septonex (TN), DESIDENT
| Molecular Formula | C21H44BrNO2 |
|---|---|
| Molecular Weight | 421.26 g/mol |
| LogP | 2.7195 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 421.25555 |
| Heavy Atoms | 25 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 14565-92-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(C(=O)OCC)[N+](C)(C)C.[Br-] |
| InChIKey | FXQJFHYFOGHZTB-UHFFFAOYSA-M |
Product Overview
Carbethopendecinium bromide (CAS 14565-92-5), with molecular formula C21H44BrNO2 and molecular weight 421.26 g/mol. IUPAC: (1-ethoxy-1-oxohexadecan-2-yl)-trimethylazanium bromide.
Chemical Property Profile of Carbethopendecinium bromide
Property Insights of Carbethopendecinium bromide
The XLogP value of 2.7195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbethopendecinium bromide. With a topological polar surface area (TPSA) of 26.3 Ų, Carbethopendecinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbethopendecinium bromide has 0 hydrogen bond donor(s) and 3 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 Carbethopendecinium bromide?
The CAS number of Carbethopendecinium bromide is 14565-92-5.
What is the molecular formula of Carbethopendecinium bromide?
The molecular formula of Carbethopendecinium bromide is C21H44BrNO2.
What is the molecular weight of Carbethopendecinium bromide?
The molecular weight of Carbethopendecinium bromide is 421.26 g/mol.
Where can I buy Carbethopendecinium bromide?
You can request a quote for Carbethopendecinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbethopendecinium bromide?
Yes, KEHONG BIO provides custom synthesis services for Carbethopendecinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.