Samandaron
TL;DR: Samandaron (CAS 4976-05-0) is a chemical compound with molecular formula C19H29NO2 and molecular weight 303.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,6R,10S,11S,14R)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one
Also Known As: Samandaron, Samandarone, KST-1A5064, (5as,5bs,7ar,10as,10bs,12ar)-5a,7a-dimethylhexadecahydro-2,5-epoxycyclopenta[5,6]naphtho[1,2-d]azepin-9(1h)-one, 3-Aza-A-homoandrostan-16-one, 1,4-epoxy-, (1-alpha,4-alpha,5-beta)-
| Molecular Formula | C19H29NO2 |
|---|---|
| Molecular Weight | 303.22 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.21982 |
| Heavy Atoms | 22 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 4976-05-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)C2)CC[C@H]4[C@@]3(C5CNC(C4)O5)C |
| InChIKey | XWTQFFNBWQHSFL-DBQPAJLESA-N |
Product Overview
Samandaron (CAS 4976-05-0), with molecular formula C19H29NO2 and molecular weight 303.22 g/mol. IUPAC: (2S,3S,6R,10S,11S,14R)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one.
Chemical Property Profile of Samandaron
Property Insights of Samandaron
The XLogP value of 3.3 indicates that Samandaron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Samandaron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Samandaron 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 Samandaron?
The CAS number of Samandaron is 4976-05-0.
What is the molecular formula of Samandaron?
The molecular formula of Samandaron is C19H29NO2.
What is the molecular weight of Samandaron?
The molecular weight of Samandaron is 303.22 g/mol.
Where can I buy Samandaron?
You can request a quote for Samandaron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Samandaron?
Yes, KEHONG BIO provides custom synthesis services for Samandaron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.