Bitungolide E
TL;DR: Bitungolide E (CAS 478694-58-5) is a chemical compound with molecular formula C25H34O4 and molecular weight 398.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2-[(2R,4R,5S,7S,8E,10E)-5,7-dihydroxy-4-methyl-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one
Also Known As: Bitungolide E, (-)-Bitungolide E, J2.967.279B, 6-(4,6-Dihydroxy-1,3-dimethyl-10-phenyl-deca-7,9-dienyl)-5-ethyl-5,6-dihydro-pyran-2-one, (2R,3R)-2-[(2R,4R,5S,7S,8E,10E)-5,7-dihydroxy-4-methyl-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one
| Molecular Formula | C25H34O4 |
|---|---|
| Molecular Weight | 398.25 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.2457 |
| Heavy Atoms | 29 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 478694-58-5 |
|---|---|
| SMILES | CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@@H](C)[C@H](C[C@@H](/C=C/C=C/C2=CC=CC=C2)O)O |
| InChIKey | UEOXWGVEBWQAGO-CWOYBQAJSA-N |
Product Overview
Bitungolide E (CAS 478694-58-5), with molecular formula C25H34O4 and molecular weight 398.25 g/mol. IUPAC: (2R,3R)-2-[(2R,4R,5S,7S,8E,10E)-5,7-dihydroxy-4-methyl-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one.
Chemical Property Profile of Bitungolide E
Property Insights of Bitungolide E
The XLogP value of 5.2 indicates that Bitungolide E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bitungolide E. Following Lipinski's Rule of Five, Bitungolide E has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bitungolide E?
The CAS number of Bitungolide E is 478694-58-5.
What is the molecular formula of Bitungolide E?
The molecular formula of Bitungolide E is C25H34O4.
What is the molecular weight of Bitungolide E?
The molecular weight of Bitungolide E is 398.25 g/mol.
Where can I buy Bitungolide E?
You can request a quote for Bitungolide E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bitungolide E?
Yes, KEHONG BIO provides custom synthesis services for Bitungolide E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.