硫酸芬辛明
TL;DR: 硫酸芬辛明 (CAS 69365-66-8) is a chemical compound with molecular formula C54H82N4O9S2 and molecular weight 994.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸芬辛明
bis(1-(4-benzhydrylpiperidin-1-yl)-N-octylmethanimine);sulfuric acid;hydrate
Also Known As: FENOCTIMINE SULFATE, Fenoctimine sulphate, fenoc-timine sulfate, Fenoctimine sulfate [USAN], fenoctimine sulfate hydrate
| Molecular Formula | C54H82N4O9S2 |
|---|---|
| Molecular Weight | 994.55 g/mol |
| LogP | 11.71 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 22 |
| Exact Mass | 994.5523 |
| Heavy Atoms | 69 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 69365-66-8 |
|---|---|
| SMILES | CCCCCCCCN=CN1CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.CCCCCCCCN=CN1CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.O.OS(=O)(=O)O.OS(=O)(=O)O |
| InChIKey | DZLXKTCZFYOEES-UHFFFAOYSA-N |
Product Overview
硫酸芬辛明 (CAS 69365-66-8), with molecular formula C54H82N4O9S2 and molecular weight 994.55 g/mol. IUPAC: bis(1-(4-benzhydrylpiperidin-1-yl)-N-octylmethanimine);sulfuric acid;hydrate.
Chemical Property Profile of 硫酸芬辛明
Property Insights of 硫酸芬辛明
The XLogP value of 11.71 indicates that 硫酸芬辛明 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting 硫酸芬辛明 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸芬辛明 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫酸芬辛明?
The CAS number of 硫酸芬辛明 is 69365-66-8.
What is the molecular formula of 硫酸芬辛明?
The molecular formula of 硫酸芬辛明 is C54H82N4O9S2.
What is the molecular weight of 硫酸芬辛明?
The molecular weight of 硫酸芬辛明 is 994.55 g/mol.
Where can I buy 硫酸芬辛明?
You can request a quote for 硫酸芬辛明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸芬辛明?
Yes, KEHONG BIO provides custom synthesis services for 硫酸芬辛明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.