Specioside B
TL;DR: Specioside B (CAS 126589-95-5) is a chemical compound with molecular formula C23H24O10 and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-5-hydroxy-4-(4-hydroxyphenyl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one
Also Known As: Specioside B, (3Z,5S)-5-hydroxy-4-(4-hydroxyphenyl)-9-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-1-benzoxocin-2-one
| Molecular Formula | C23H24O10 |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.13693 |
| Heavy Atoms | 33 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 126589-95-5 |
|---|---|
| SMILES | C1[C@@H](C(=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O)O |
| InChIKey | BFKUDGRBSUJNLA-FPKZUJDXSA-N |
Product Overview
Specioside B (CAS 126589-95-5), with molecular formula C23H24O10 and molecular weight 460.14 g/mol. IUPAC: (5S)-5-hydroxy-4-(4-hydroxyphenyl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one.
Chemical Property Profile of Specioside B
Property Insights of Specioside B
The XLogP value of -0.4 indicates that Specioside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Specioside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Specioside B has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Specioside B?
The CAS number of Specioside B is 126589-95-5.
What is the molecular formula of Specioside B?
The molecular formula of Specioside B is C23H24O10.
What is the molecular weight of Specioside B?
The molecular weight of Specioside B is 460.14 g/mol.
Where can I buy Specioside B?
You can request a quote for Specioside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Specioside B?
Yes, KEHONG BIO provides custom synthesis services for Specioside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.