菜蓟苦素
TL;DR: 菜蓟苦素 (CAS 35730-78-0) is a chemical compound with molecular formula C19H22O6 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
菜蓟苦素
[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
Also Known As: Cynaropicrin, Cynaropikrin, aguerin, cynaporicrin, Cynaropicrin (Standard)
| Molecular Formula | C19H22O6 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.14163 |
| Heavy Atoms | 25 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 35730-78-0 |
|---|---|
| SMILES | C=C1C[C@@H]([C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H](C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO |
| InChIKey | KHSCYOFDKADJDJ-NQLMQOPMSA-N |
Product Overview
菜蓟苦素 (CAS 35730-78-0), with molecular formula C19H22O6 and molecular weight 346.14 g/mol. IUPAC: [(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate.
Chemical Property Profile of 菜蓟苦素
Property Insights of 菜蓟苦素
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 菜蓟苦素. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 菜蓟苦素. Following Lipinski's Rule of Five, 菜蓟苦素 has 2 hydrogen bond donor(s) and 6 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 菜蓟苦素?
The CAS number of 菜蓟苦素 is 35730-78-0.
What is the molecular formula of 菜蓟苦素?
The molecular formula of 菜蓟苦素 is C19H22O6.
What is the molecular weight of 菜蓟苦素?
The molecular weight of 菜蓟苦素 is 346.14 g/mol.
Where can I buy 菜蓟苦素?
You can request a quote for 菜蓟苦素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 菜蓟苦素?
Yes, KEHONG BIO provides custom synthesis services for 菜蓟苦素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.