Samandenone
TL;DR: Samandenone (CAS 64000-61-9) is a chemical compound with molecular formula C22H33NO2 and molecular weight 343.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3S,6R,7R,11R,14R,16S)-2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadec-9-en-8-one
Also Known As: Samandenone, Samandenon, neocuproine hydrochloride, KST-1A7907, Samandarine, 14,15-didehydro-16-deoxy-17-beta-isopropyl-16-oxo-
| Molecular Formula | C22H33NO2 |
|---|---|
| Molecular Weight | 343.25 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.25113 |
| Heavy Atoms | 25 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 64000-61-9 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)C=C2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3([C@@H]5CN[C@H](C4)O5)C)C |
| InChIKey | YVWOGPJZTKNLJO-BYXPGVIDSA-N |
Product Overview
Samandenone (CAS 64000-61-9), with molecular formula C22H33NO2 and molecular weight 343.25 g/mol. IUPAC: (1R,2S,3S,6R,7R,11R,14R,16S)-2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadec-9-en-8-one.
Chemical Property Profile of Samandenone
Property Insights of Samandenone
The XLogP value of 4.3 indicates that Samandenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Samandenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Samandenone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Samandenone?
The CAS number of Samandenone is 64000-61-9.
What is the molecular formula of Samandenone?
The molecular formula of Samandenone is C22H33NO2.
What is the molecular weight of Samandenone?
The molecular weight of Samandenone is 343.25 g/mol.
Where can I buy Samandenone?
You can request a quote for Samandenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Samandenone?
Yes, KEHONG BIO provides custom synthesis services for Samandenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.