Plumericin
TL;DR: Plumericin (CAS 77-16-7) is a chemical compound with molecular formula C15H14O6 and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
Also Known As: Plumericin, Isoplumericin, methyl (1S,4S,8R,10S,11E,14S)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate, methyl (1S,4S,8R,10S,11Z,14S)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
| Molecular Formula | C15H14O6 |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.07904 |
| Heavy Atoms | 21 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 77-16-7 |
|---|---|
| SMILES | CC=C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O |
| InChIKey | VFXXNAVZODKBIW-UHFFFAOYSA-N |
Product Overview
Plumericin (CAS 77-16-7), with molecular formula C15H14O6 and molecular weight 290.08 g/mol. IUPAC: methyl 11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate.
Chemical Property Profile of Plumericin
Property Insights of Plumericin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Plumericin. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Plumericin. Following Lipinski's Rule of Five, Plumericin has 0 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 Plumericin?
The CAS number of Plumericin is 77-16-7.
What is the molecular formula of Plumericin?
The molecular formula of Plumericin is C15H14O6.
What is the molecular weight of Plumericin?
The molecular weight of Plumericin is 290.08 g/mol.
Where can I buy Plumericin?
You can request a quote for Plumericin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Plumericin?
Yes, KEHONG BIO provides custom synthesis services for Plumericin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.