去甲岩白菜素
TL;DR: 去甲岩白菜素 (CAS 79595-97-4) is a chemical compound with molecular formula C13H14O9 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去甲岩白菜素
(2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
Also Known As: Norbergenin, Norbergenin?, DEMETHYLBERGENIN, (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one, (2s,3r,4r,4as,10br)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2h)-one
| Molecular Formula | C13H14O9 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.06378 |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 79595-97-4 |
|---|---|
| SMILES | C1=C2C(=C(C(=C1O)O)O)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)OC2=O |
| InChIKey | GDYGAIKPBLFCKR-YWQRSDGBSA-N |
Product Overview
去甲岩白菜素 (CAS 79595-97-4), with molecular formula C13H14O9 and molecular weight 314.06 g/mol. IUPAC: (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one.
Chemical Property Profile of 去甲岩白菜素
Property Insights of 去甲岩白菜素
The XLogP value of -1.3 indicates that 去甲岩白菜素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting 去甲岩白菜素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 去甲岩白菜素 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 去甲岩白菜素?
The CAS number of 去甲岩白菜素 is 79595-97-4.
What is the molecular formula of 去甲岩白菜素?
The molecular formula of 去甲岩白菜素 is C13H14O9.
What is the molecular weight of 去甲岩白菜素?
The molecular weight of 去甲岩白菜素 is 314.06 g/mol.
Where can I buy 去甲岩白菜素?
You can request a quote for 去甲岩白菜素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去甲岩白菜素?
Yes, KEHONG BIO provides custom synthesis services for 去甲岩白菜素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.