Sesquiterpene lactone ean-1
TL;DR: Sesquiterpene lactone ean-1 (CAS 73021-00-8) is a chemical compound with molecular formula C20H26O8 and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9,12-dihydroxy-15-methyl-5-methylidene-4-oxo-3,11,14-trioxapentacyclo[7.6.1.02,6.012,16.013,15]hexadecan-7-yl) 2-methylbutanoate
Also Known As: Anomalide, SESQUITERPENE LACTONE EAN-1, 1b,3a-Dihydroxy-8c-methyl-6-methylidene-7-oxododecahydro-1aH-furo[2',3':4,5]oxireno[2,3]azuleno[1,8-bc]furan-5-yl 2-methylbutanoate, 2-Methylbutyric acid dodecahydro-1b,3a-dihydroxy-8c-methyl-6-methylene-7-oxo-3H-oxireno[2,3]azuleno[1,8-bc:4,5-b ]difuran-5-yl ester, 9,12-dihydroxy-15-methyl-5-methylidene-4-oxo-3,11,14-trioxapentacyclo[7.6.1.02,6.012,16.013,15]hexadecan-7-yl 2-methylbutanoate
| Molecular Formula | C20H26O8 |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.16278 |
| Heavy Atoms | 28 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 73021-00-8 |
|---|---|
| SMILES | CCC(C)C(=O)OC1CC2(COC3(C2C(C4C1C(=C)C(=O)O4)C5(C3O5)C)O)O |
| InChIKey | IIXSMSPNCAECDY-UHFFFAOYSA-N |
Product Overview
Sesquiterpene lactone ean-1 (CAS 73021-00-8), with molecular formula C20H26O8 and molecular weight 394.16 g/mol. IUPAC: (9,12-dihydroxy-15-methyl-5-methylidene-4-oxo-3,11,14-trioxapentacyclo[7.6.1.02,6.012,16.013,15]hexadecan-7-yl) 2-methylbutanoate.
Chemical Property Profile of Sesquiterpene lactone ean-1
Property Insights of Sesquiterpene lactone ean-1
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sesquiterpene lactone ean-1. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sesquiterpene lactone ean-1. Following Lipinski's Rule of Five, Sesquiterpene lactone ean-1 has 2 hydrogen bond donor(s) and 8 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 Sesquiterpene lactone ean-1?
The CAS number of Sesquiterpene lactone ean-1 is 73021-00-8.
What is the molecular formula of Sesquiterpene lactone ean-1?
The molecular formula of Sesquiterpene lactone ean-1 is C20H26O8.
What is the molecular weight of Sesquiterpene lactone ean-1?
The molecular weight of Sesquiterpene lactone ean-1 is 394.16 g/mol.
Where can I buy Sesquiterpene lactone ean-1?
You can request a quote for Sesquiterpene lactone ean-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sesquiterpene lactone ean-1?
Yes, KEHONG BIO provides custom synthesis services for Sesquiterpene lactone ean-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.