Samarcandin
TL;DR: Samarcandin (CAS 54165-75-2) is a chemical compound with molecular formula C24H32O5 and molecular weight 400.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
Also Known As: Samarcandin, Deacetylkellerin, NCI60_019080, 7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one, 7-((1S,2R,4aS,6S,8aR)-2,6-Dihydroxy-2,5,5,8a-tetramethyl-decahydro-naphthalen-1-ylmethoxy)-chromen-2-one
| Molecular Formula | C24H32O5 |
|---|---|
| Molecular Weight | 400.22 g/mol |
| LogP | 4.1362 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.22498 |
| Heavy Atoms | 29 |
| Complexity | 959.1425 |
Chemical Identifiers
| CAS Number | 54165-75-2 |
|---|---|
| SMILES | C[C@@]1(CC[C@@H]2C([C@H](CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C)O |
Product Overview
Samarcandin (CAS 54165-75-2), with molecular formula C24H32O5 and molecular weight 400.22 g/mol. IUPAC: 7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one.
Chemical Property Profile of Samarcandin
Property Insights of Samarcandin
The XLogP value of 4.1362 indicates that Samarcandin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Samarcandin. Following Lipinski's Rule of Five, Samarcandin has 2 hydrogen bond donor(s) and 5 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 Samarcandin?
The CAS number of Samarcandin is 54165-75-2.
What is the molecular formula of Samarcandin?
The molecular formula of Samarcandin is C24H32O5.
What is the molecular weight of Samarcandin?
The molecular weight of Samarcandin is 400.22 g/mol.
Where can I buy Samarcandin?
You can request a quote for Samarcandin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Samarcandin?
Yes, KEHONG BIO provides custom synthesis services for Samarcandin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.