ERIOLANGIN
TL;DR: ERIOLANGIN (CAS 52617-35-3) is a chemical compound with molecular formula C20H28O6 and molecular weight 364.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4S,7aR)-6-(hydroxymethyl)-5-[(2S)-5-hydroxypentan-2-yl]-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] (Z)-2-methylbut-2-enoate
Also Known As: [(3aR,4S,7aR)-6-(hydroxymethyl)-5-[(2S)-5-hydroxypentan-2-yl]-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] (Z)-2-methylbut-2-enoate|[(3aR,4S,7aR)-6-(hydroxymethyl)-5-[(2S)-5-hydroxypentan-2-yl|(3aR,4S,7aR)-6-(hydroxymethyl)-5-[(2S)-5-hydroxypentan-2-yl]-3-methylidene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-4-yl (2Z)-2-methylbut-2-enoate|((3aR,4S,7aR)-6-(hydroxymethyl)-5-((1S)-4-hydroxy-1-methyl-butyl)-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl) (Z)-2-methylbut-2-enoate|(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-((1S)-4-hydroxy-1-methylbutyl)-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate|(Z)-2-Methyl-2-butenoic acid (3aR)-2-oxo-3-methylene-5-[(1S)-1-methyl-4-hydroxybutyl]-6-(hydroxymethyl)-2,3,3aalpha,4,7,7aalpha-hexahydrobenzofuran-4alpha-yl ester|(Z)-2-Methyl-2-butenoic acid (4S)-2,3,3aalpha,4,7,7aalpha-hexahydro-6-hydroxymethyl-5-[(S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxobenzofuran-4alpha-yl ester|ERIOLANGIN|RefChem:905959|DTXCID00365969
| Molecular Formula | C20H28O6 |
|---|---|
| Molecular Weight | 364.19 g/mol |
| LogP | 2.0634 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.1886 |
| Heavy Atoms | 26 |
| Complexity | 644.6868 |
Chemical Identifiers
| CAS Number | 52617-35-3 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1[C@H]2[C@@H](CC(=C1[C@@H](C)CCCO)CO)OC(=O)C2=C |
Product Overview
ERIOLANGIN (CAS 52617-35-3), with molecular formula C20H28O6 and molecular weight 364.19 g/mol. IUPAC: [(3aR,4S,7aR)-6-(hydroxymethyl)-5-[(2S)-5-hydroxypentan-2-yl]-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of ERIOLANGIN
Property Insights of ERIOLANGIN
The XLogP value of 2.0634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ERIOLANGIN. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ERIOLANGIN. Following Lipinski's Rule of Five, ERIOLANGIN 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 ERIOLANGIN?
The CAS number of ERIOLANGIN is 52617-35-3.
What is the molecular formula of ERIOLANGIN?
The molecular formula of ERIOLANGIN is C20H28O6.
What is the molecular weight of ERIOLANGIN?
The molecular weight of ERIOLANGIN is 364.19 g/mol.
Where can I buy ERIOLANGIN?
You can request a quote for ERIOLANGIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ERIOLANGIN?
Yes, KEHONG BIO provides custom synthesis services for ERIOLANGIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.