Bruceol
TL;DR: Bruceol (CAS 3323-73-7) is a chemical compound with molecular formula C19H20O5 and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-hydroxy-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.02,7.09,18.012,17]nonadeca-1,3,7,9(18)-tetraen-5-one
Also Known As: Bruceol, (-)-Bruceol, hydroxy(trimethyl)[?]one, NCIOpen2_009184, 1-hydroxy-2,5,5-trimethyl-1,3,4,4a,5,12b-hexahydro-2h,9h-2,12-epoxybenzo[c]pyrano[3,2-g]chromen-9-one
| Molecular Formula | C19H20O5 |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.13107 |
| Heavy Atoms | 24 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 3323-73-7 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2C4=C(O1)C=C5C(=C4O3)C=CC(=O)O5)O)C)C |
| InChIKey | AINCADFEINJXSR-UHFFFAOYSA-N |
Product Overview
Bruceol (CAS 3323-73-7), with molecular formula C19H20O5 and molecular weight 328.13 g/mol. IUPAC: 16-hydroxy-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.02,7.09,18.012,17]nonadeca-1,3,7,9(18)-tetraen-5-one.
Chemical Property Profile of Bruceol
Property Insights of Bruceol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bruceol. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bruceol. Following Lipinski's Rule of Five, Bruceol has 1 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 Bruceol?
The CAS number of Bruceol is 3323-73-7.
What is the molecular formula of Bruceol?
The molecular formula of Bruceol is C19H20O5.
What is the molecular weight of Bruceol?
The molecular weight of Bruceol is 328.13 g/mol.
Where can I buy Bruceol?
You can request a quote for Bruceol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bruceol?
Yes, KEHONG BIO provides custom synthesis services for Bruceol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.