Bleekerine
TL;DR: Bleekerine (CAS 41758-43-4) is a chemical compound with molecular formula C23H24N2O5 and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
Also Known As: Bleekerine, methyl (15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate, 2,3-(4-Acetylbenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene, 8-(hydroxymethyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one, Methyl 10,11-dimethoxy-19alpha-methyl-20alpha-1,3,5,6,16,17-hexadehydro-18-oxayohimban-16-carboxylate
| Molecular Formula | C23H24N2O5 |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.16852 |
| Heavy Atoms | 30 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 41758-43-4 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3C=CC4=C5C=C(C(=CC5=NC4=C3C[C@@H]2C(=CO1)C(=O)OC)OC)OC |
| InChIKey | TWZUULCDVYYPNU-NOLJZWGESA-N |
Product Overview
Bleekerine (CAS 41758-43-4), with molecular formula C23H24N2O5 and molecular weight 408.17 g/mol. IUPAC: methyl (15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate.
Chemical Property Profile of Bleekerine
Property Insights of Bleekerine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bleekerine. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bleekerine. Following Lipinski's Rule of Five, Bleekerine 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 Bleekerine?
The CAS number of Bleekerine is 41758-43-4.
What is the molecular formula of Bleekerine?
The molecular formula of Bleekerine is C23H24N2O5.
What is the molecular weight of Bleekerine?
The molecular weight of Bleekerine is 408.17 g/mol.
Where can I buy Bleekerine?
You can request a quote for Bleekerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bleekerine?
Yes, KEHONG BIO provides custom synthesis services for Bleekerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.