3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE
TL;DR: 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE (CAS 23232-36-2) is a chemical compound with molecular formula C35H58ClN and molecular weight 527.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-6,6,9a,11a-tetramethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-6-ium chloride
Also Known As: 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE, 2-Benzyl-1,1,4a,6a-tetramethyl-7-(6-methylheptan-2-yl)hexadecahydro-1H-indeno[5,4-f]quinolin-1-ium chloride, 4-Azoniacholestane, 4,4-dimethyl-3-(phenylmethyl)-, chloride, monohydrate, (3.beta.,5.alpha.)-, 7-benzyl-6,6,9a,11a-tetramethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-6-ium chloride, 7-benzyl-6,6,9a,11a-tetramethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-6-ium;chloride
| Molecular Formula | C35H58ClN |
|---|---|
| Molecular Weight | 527.43 g/mol |
| LogP | 6.16 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.4258 |
| Heavy Atoms | 37 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 23232-36-2 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC([N+]4(C)C)CC5=CC=CC=C5)C)C.[Cl-] |
| InChIKey | AQJNJUZSFJYSMO-UHFFFAOYSA-M |
Product Overview
3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE (CAS 23232-36-2), with molecular formula C35H58ClN and molecular weight 527.43 g/mol. IUPAC: 7-benzyl-6,6,9a,11a-tetramethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-6-ium chloride.
Chemical Property Profile of 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE
Property Insights of 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE
The XLogP value of 6.16 indicates that 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE?
The CAS number of 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE is 23232-36-2.
What is the molecular formula of 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE?
The molecular formula of 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE is C35H58ClN.
What is the molecular weight of 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE?
The molecular weight of 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE is 527.43 g/mol.
Where can I buy 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE?
You can request a quote for 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE?
Yes, KEHONG BIO provides custom synthesis services for 3B-BENZYL-4,4-DIMETHYL-4-AZA-5A-CHOLESTANE CHLORIDE MONOHYDRATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.