BRUCEANTARIN
TL;DR: BRUCEANTARIN (CAS 41451-76-7) is a chemical compound with molecular formula C28H30O11 and molecular weight 542.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Also Known As: BRUCEANTARIN
| Molecular Formula | C28H30O11 |
|---|---|
| Molecular Weight | 542.18 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 542.17883 |
| Heavy Atoms | 39 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 41451-76-7 |
|---|---|
| SMILES | CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H](C([C@@H]4[C@H](C(=O)O3)OC(=O)C6=CC=CC=C6)(OC5)C(=O)OC)O)O)C)O |
| InChIKey | TUKVWIYSWDDKKX-HGALZNGHSA-N |
Product Overview
BRUCEANTARIN (CAS 41451-76-7), with molecular formula C28H30O11 and molecular weight 542.18 g/mol. IUPAC: methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate.
Chemical Property Profile of BRUCEANTARIN
Property Insights of BRUCEANTARIN
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRUCEANTARIN. The TPSA of 166.0 Ų indicates high polarity, suggesting BRUCEANTARIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRUCEANTARIN has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRUCEANTARIN?
The CAS number of BRUCEANTARIN is 41451-76-7.
What is the molecular formula of BRUCEANTARIN?
The molecular formula of BRUCEANTARIN is C28H30O11.
What is the molecular weight of BRUCEANTARIN?
The molecular weight of BRUCEANTARIN is 542.18 g/mol.
Where can I buy BRUCEANTARIN?
You can request a quote for BRUCEANTARIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRUCEANTARIN?
Yes, KEHONG BIO provides custom synthesis services for BRUCEANTARIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.