BN 52111
TL;DR: BN 52111 (CAS 120889-14-7) is a chemical compound with molecular formula C33H58BrNO4 and molecular weight 611.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate bromide
Also Known As: Pyridinium, 1-(6-((2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methoxy)-6-oxohexyl)-, bromide, 2-Heptadecyl-2-methyl-4-(6'-(N-pyridinium)hexanoyloxymethyl)-1,3-dioxolan, (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate;bromide, (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-, (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate bromide
| Molecular Formula | C33H58BrNO4 |
|---|---|
| Molecular Weight | 611.35 g/mol |
| LogP | 5.4748 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 25 |
| Exact Mass | 611.3549 |
| Heavy Atoms | 39 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 120889-14-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCCCC[N+]2=CC=CC=C2)C.[Br-] |
| InChIKey | YZHGMFNGBBTPOH-UHFFFAOYSA-M |
Product Overview
BN 52111 (CAS 120889-14-7), with molecular formula C33H58BrNO4 and molecular weight 611.35 g/mol. IUPAC: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate bromide.
Chemical Property Profile of BN 52111
Property Insights of BN 52111
The XLogP value of 5.4748 indicates that BN 52111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.6 Ų, BN 52111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BN 52111 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BN 52111?
The CAS number of BN 52111 is 120889-14-7.
What is the molecular formula of BN 52111?
The molecular formula of BN 52111 is C33H58BrNO4.
What is the molecular weight of BN 52111?
The molecular weight of BN 52111 is 611.35 g/mol.
Where can I buy BN 52111?
You can request a quote for BN 52111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BN 52111?
Yes, KEHONG BIO provides custom synthesis services for BN 52111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.