Stemphyloxin I
TL;DR: Stemphyloxin I (CAS 81210-11-9) is a chemical compound with molecular formula C21H34O6 and molecular weight 382.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,4aS,5R,7R,8aS)-2,7-dihydroxy-3-[(2R)-1-hydroxybutan-2-yl]-4-[(Z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-3,4a,5,6,8,8a-hexahydronaphthalen-1-one
Also Known As: Stemphyloxin I, Deacyl-FR 225654, 1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-3-((1R)-1-(hydroxymethyl)propyl)-4-((2Z)-3-hydroxy-1-oxo-2-propenyl)-2,4,5,7-tetramethyl-, (2S,3R,4R,4aS,5R,7R,8aS)-rel-, (2S,3R,4R,4aS,5R,7R,8aS)-2,7-dihydroxy-3-[(2R)-1-hydroxybutan-2-yl]-4-[(Z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-3,4a,5,6,8,8a-hexahydronaphthalen-1-one, (2S,3R,4R,4aS,5R,7R,8aS)-2,7-dihydroxy-3-[(2R)-1-hydroxybutan-2-yl]-4-[(2Z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyloctahydronaphthalen-1(2H)-one
| Molecular Formula | C21H34O6 |
|---|---|
| Molecular Weight | 382.24 g/mol |
| LogP | 2.0152 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.23553 |
| Heavy Atoms | 27 |
| Complexity | 618.1614 |
Chemical Identifiers
| CAS Number | 81210-11-9 |
|---|---|
| SMILES | CC[C@@H](CO)[C@@H]1[C@]([C@H]2[C@@H](C[C@@](C[C@@H]2C(=O)[C@@]1(C)O)(C)O)C)(C)C(=O)/C=C\O |
Product Overview
Stemphyloxin I (CAS 81210-11-9), with molecular formula C21H34O6 and molecular weight 382.24 g/mol. IUPAC: (2S,3R,4R,4aS,5R,7R,8aS)-2,7-dihydroxy-3-[(2R)-1-hydroxybutan-2-yl]-4-[(Z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-3,4a,5,6,8,8a-hexahydronaphthalen-1-one.
Chemical Property Profile of Stemphyloxin I
Property Insights of Stemphyloxin I
The XLogP value of 2.0152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stemphyloxin I. The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Stemphyloxin I. Following Lipinski's Rule of Five, Stemphyloxin I has 4 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 Stemphyloxin I?
The CAS number of Stemphyloxin I is 81210-11-9.
What is the molecular formula of Stemphyloxin I?
The molecular formula of Stemphyloxin I is C21H34O6.
What is the molecular weight of Stemphyloxin I?
The molecular weight of Stemphyloxin I is 382.24 g/mol.
Where can I buy Stemphyloxin I?
You can request a quote for Stemphyloxin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stemphyloxin I?
Yes, KEHONG BIO provides custom synthesis services for Stemphyloxin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.