Samandarine
TL;DR: Samandarine (CAS 4975-88-6) is a chemical compound with molecular formula C19H31NO2 and molecular weight 305.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,6R,8S,10S,11S,14R)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol
Also Known As: Samandarine, Samandarin, Samandarone, 3-Aza-A-homoandrostan-16-ol, 1,4-epoxy-, (1-alpha,4-alpha,5-beta,16-beta)-
| Molecular Formula | C19H31NO2 |
|---|---|
| Molecular Weight | 305.24 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.23547 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 4975-88-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2)O)CC[C@H]4[C@@]3(C5CNC(C4)O5)C |
| InChIKey | HJCSQOSWSRPBOU-ZDKCPBOOSA-N |
Product Overview
Samandarine (CAS 4975-88-6), with molecular formula C19H31NO2 and molecular weight 305.24 g/mol. IUPAC: (2S,3S,6R,8S,10S,11S,14R)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol.
Chemical Property Profile of Samandarine
Property Insights of Samandarine
The XLogP value of 3.7 indicates that Samandarine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, Samandarine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Samandarine has 2 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 Samandarine?
The CAS number of Samandarine is 4975-88-6.
What is the molecular formula of Samandarine?
The molecular formula of Samandarine is C19H31NO2.
What is the molecular weight of Samandarine?
The molecular weight of Samandarine is 305.24 g/mol.
Where can I buy Samandarine?
You can request a quote for Samandarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Samandarine?
Yes, KEHONG BIO provides custom synthesis services for Samandarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.