N-Acetylsolasodine
TL;DR: N-Acetylsolasodine (CAS 60509-33-3) is a chemical compound with molecular formula C29H45NO3 and molecular weight 455.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-1'-yl)ethanone
Also Known As: N-Acetylsolasodine, Solasodine N-acetate, 1-(3-hydroxyspirosol-5-en-28-yl)ethanone, N-(2-fluorobenzyl)butan-1-amine, 28-Acetylspirosol-5-en-3-ol #
| Molecular Formula | C29H45NO3 |
|---|---|
| Molecular Weight | 455.34 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 455.33994 |
| Heavy Atoms | 33 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 60509-33-3 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)N(C1)C(=O)C |
| InChIKey | JXAZKNVJWYDQJY-UHFFFAOYSA-N |
Product Overview
N-Acetylsolasodine (CAS 60509-33-3), with molecular formula C29H45NO3 and molecular weight 455.34 g/mol. IUPAC: 1-(16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-1'-yl)ethanone.
Chemical Property Profile of N-Acetylsolasodine
Property Insights of N-Acetylsolasodine
The XLogP value of 5.3 indicates that N-Acetylsolasodine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, N-Acetylsolasodine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetylsolasodine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Acetylsolasodine?
The CAS number of N-Acetylsolasodine is 60509-33-3.
What is the molecular formula of N-Acetylsolasodine?
The molecular formula of N-Acetylsolasodine is C29H45NO3.
What is the molecular weight of N-Acetylsolasodine?
The molecular weight of N-Acetylsolasodine is 455.34 g/mol.
Where can I buy N-Acetylsolasodine?
You can request a quote for N-Acetylsolasodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylsolasodine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylsolasodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.