Schisanlactone E
TL;DR: Schisanlactone E (CAS 136040-43-2) is a chemical compound with molecular formula C30H44O4 and molecular weight 468.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4,8-dimethyl-5-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
Also Known As: Schisanlactone E, 3-[4,8-Dimethyl-5-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid, (3S,3AR,4aS,6aR,7R,9aS,9bS)-7-[(1S)-1-[(2R)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, CID 14844611
| Molecular Formula | C30H44O4 |
|---|---|
| Molecular Weight | 468.32 g/mol |
| LogP | 6.9443 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.32397 |
| Heavy Atoms | 34 |
| Complexity | 949.452 |
Chemical Identifiers
| CAS Number | 136040-43-2 |
|---|---|
| SMILES | CC1=CCC(OC1=O)C(C)C2CCC3(C2(CCC45C3CCC(C4(C5)CCC(=O)O)C(=C)C)C)C |
Product Overview
Schisanlactone E (CAS 136040-43-2), with molecular formula C30H44O4 and molecular weight 468.32 g/mol. IUPAC: 3-[4,8-dimethyl-5-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid.
Chemical Property Profile of Schisanlactone E
Property Insights of Schisanlactone E
The XLogP value of 6.9443 indicates that Schisanlactone E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Schisanlactone E. Following Lipinski's Rule of Five, Schisanlactone E has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Schisanlactone E?
The CAS number of Schisanlactone E is 136040-43-2.
What is the molecular formula of Schisanlactone E?
The molecular formula of Schisanlactone E is C30H44O4.
What is the molecular weight of Schisanlactone E?
The molecular weight of Schisanlactone E is 468.32 g/mol.
Where can I buy Schisanlactone E?
You can request a quote for Schisanlactone E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Schisanlactone E?
Yes, KEHONG BIO provides custom synthesis services for Schisanlactone E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.