Schweinfurthin B
TL;DR: Schweinfurthin B (CAS 217476-93-2) is a chemical compound with molecular formula C35H46O6 and molecular weight 562.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
Also Known As: Schweinfurthin B, J1.033.425J, (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol, (2S)-1,1,4aalpha-Trimethyl-5-methoxy-7-[(E)-3,5-dihydroxy-4-[(2E)-3,7-dimethyl-2,6-octadienyl]styryl]-2,3,4,4a,9,9abeta-hexahydro-1H-xanthene-2alpha,3alpha-diol, (2S,3R,4aR,9aR)-7-((E)-2-(4-((2E)-3,7-dimethylocta-2,6-dienyl)-3,5-dihydroxyphenyl)ethenyl)-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
| Molecular Formula | C35H46O6 |
|---|---|
| Molecular Weight | 562.33 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.32947 |
| Heavy Atoms | 41 |
| Complexity | 954.0 |
Chemical Identifiers
| CAS Number | 217476-93-2 |
|---|---|
| SMILES | CC(=CCC/C(=C/CC1=C(C=C(C=C1O)/C=C/C2=CC3=C(C(=C2)OC)O[C@@]4(C[C@H]([C@H](C([C@H]4C3)(C)C)O)O)C)O)/C)C |
| InChIKey | UPTXDGJFJGCFDE-NASSATPLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Schweinfurthin B (CAS 217476-93-2), with molecular formula C35H46O6 and molecular weight 562.33 g/mol. IUPAC: (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol.
Chemical Property Profile of Schweinfurthin B
Property Insights of Schweinfurthin B
The XLogP value of 7.8 indicates that Schweinfurthin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Schweinfurthin B. Following Lipinski's Rule of Five, Schweinfurthin B has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Schweinfurthin B?
The CAS number of Schweinfurthin B is 217476-93-2.
What is the molecular formula of Schweinfurthin B?
The molecular formula of Schweinfurthin B is C35H46O6.
What is the molecular weight of Schweinfurthin B?
The molecular weight of Schweinfurthin B is 562.33 g/mol.
Where can I buy Schweinfurthin B?
You can request a quote for Schweinfurthin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Schweinfurthin B?
Yes, KEHONG BIO provides custom synthesis services for Schweinfurthin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.