Demissidine
TL;DR: Demissidine (CAS 474-08-8) is a chemical compound with molecular formula C27H45NO and molecular weight 399.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-ol
Also Known As: Demissidine, Dihydrosolanidine, Solanin D, Demissidin, Solanine D
| Molecular Formula | C27H45NO |
|---|---|
| Molecular Weight | 399.35 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 399.35013 |
| Heavy Atoms | 29 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 474-08-8 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C |
| InChIKey | JALVTHFTYRPDMB-HRRTYWNUSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demissidine (CAS 474-08-8), with molecular formula C27H45NO and molecular weight 399.35 g/mol. IUPAC: (1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-ol.
Chemical Property Profile of Demissidine
Property Insights of Demissidine
The XLogP value of 6.9 indicates that Demissidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Demissidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demissidine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Demissidine?
The CAS number of Demissidine is 474-08-8.
What is the molecular formula of Demissidine?
The molecular formula of Demissidine is C27H45NO.
What is the molecular weight of Demissidine?
The molecular weight of Demissidine is 399.35 g/mol.
Where can I buy Demissidine?
You can request a quote for Demissidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demissidine?
Yes, KEHONG BIO provides custom synthesis services for Demissidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.