Bigelovin
TL;DR: Bigelovin (CAS 5988-99-8) is a chemical compound with molecular formula C17H20O5 and molecular weight 304.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) acetate
Also Known As: Bigelovin, Linifoline A, Helenalin acetate, Linifolin A, 6-O-Acetylmexicanin I
| Molecular Formula | C17H20O5 |
|---|---|
| Molecular Weight | 304.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.13107 |
| Heavy Atoms | 22 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 5988-99-8 |
|---|---|
| SMILES | CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2 |
| InChIKey | DCNRYQODUSSOKC-UHFFFAOYSA-N |
Product Overview
Bigelovin (CAS 5988-99-8), with molecular formula C17H20O5 and molecular weight 304.13 g/mol. IUPAC: (5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) acetate.
Chemical Property Profile of Bigelovin
Property Insights of Bigelovin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bigelovin. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bigelovin. Following Lipinski's Rule of Five, Bigelovin has 0 hydrogen bond donor(s) and 5 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 Bigelovin?
The CAS number of Bigelovin is 5988-99-8.
What is the molecular formula of Bigelovin?
The molecular formula of Bigelovin is C17H20O5.
What is the molecular weight of Bigelovin?
The molecular weight of Bigelovin is 304.13 g/mol.
Where can I buy Bigelovin?
You can request a quote for Bigelovin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bigelovin?
Yes, KEHONG BIO provides custom synthesis services for Bigelovin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.