BN 52115
TL;DR: BN 52115 (CAS 120908-94-3) is a chemical compound with molecular formula C37H60BrNO4 and molecular weight 661.37 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-quinolin-1-ium-1-ylhexanoate bromide
Also Known As: Quinolinium, 1-(6-((2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methoxy)-6-oxohexyl)-, bromide, 2-Heptadecyl-2-methyl-4-(6'-(N-quinolinium)hexanoyloxymethyl)-1,3-dioxolan, (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate;bromide, (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate bromide, 1-{6-[(2-HEPTADECYL-2-METHYL-1,3-DIOXOLAN-4-YL)METHOXY]-6-OXOHEXYL}QUINOLIN-1-IUM BROMIDE
| Molecular Formula | C37H60BrNO4 |
|---|---|
| Molecular Weight | 661.37 g/mol |
| LogP | 6.628 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 25 |
| Exact Mass | 661.37054 |
| Heavy Atoms | 43 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 120908-94-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCCCC[N+]2=CC=CC3=CC=CC=C32)C.[Br-] |
| InChIKey | FTFOSFBACGPTIP-UHFFFAOYSA-M |
Product Overview
BN 52115 (CAS 120908-94-3), with molecular formula C37H60BrNO4 and molecular weight 661.37 g/mol. IUPAC: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate bromide.
Chemical Property Profile of BN 52115
Property Insights of BN 52115
The XLogP value of 6.628 indicates that BN 52115 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 52115 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BN 52115 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 52115?
The CAS number of BN 52115 is 120908-94-3.
What is the molecular formula of BN 52115?
The molecular formula of BN 52115 is C37H60BrNO4.
What is the molecular weight of BN 52115?
The molecular weight of BN 52115 is 661.37 g/mol.
Where can I buy BN 52115?
You can request a quote for BN 52115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BN 52115?
Yes, KEHONG BIO provides custom synthesis services for BN 52115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.