delta4(8)-Desbenzylidenerubabine
TL;DR: delta4(8)-Desbenzylidenerubabine (CAS 43230-46-2) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dihydroxy-9-methyl-12-propan-2-ylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)ethanone
Also Known As: Benzosemiquinone, delta4(8)-Desbenzylidenerubabine, .DELTA.4(8)-Desbenzylidenerubabine, 1-(dihydroxy-isopropylidene-methyl-[?]yl)ethanone, 1-[7,9-Dihydroxy-2-methyl-5-(1-methylethylidene)-3,4,5,6-tetrahydro-2H-2,6-methano-1-benzoxocin-8-yl]ethanone
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 43230-46-2 |
|---|---|
| SMILES | CC(=C1CCC2(CC1C3=C(O2)C=C(C(=C3O)C(=O)C)O)C)C |
| InChIKey | WJUHGQHJASTSSZ-UHFFFAOYSA-N |
Product Overview
delta4(8)-Desbenzylidenerubabine (CAS 43230-46-2), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: 1-(3,5-dihydroxy-9-methyl-12-propan-2-ylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)ethanone.
Chemical Property Profile of delta4(8)-Desbenzylidenerubabine
Property Insights of delta4(8)-Desbenzylidenerubabine
The XLogP value of 3.5 indicates that delta4(8)-Desbenzylidenerubabine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for delta4(8)-Desbenzylidenerubabine. Following Lipinski's Rule of Five, delta4(8)-Desbenzylidenerubabine has 2 hydrogen bond donor(s) and 4 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 delta4(8)-Desbenzylidenerubabine?
The CAS number of delta4(8)-Desbenzylidenerubabine is 43230-46-2.
What is the molecular formula of delta4(8)-Desbenzylidenerubabine?
The molecular formula of delta4(8)-Desbenzylidenerubabine is C18H22O4.
What is the molecular weight of delta4(8)-Desbenzylidenerubabine?
The molecular weight of delta4(8)-Desbenzylidenerubabine is 302.15 g/mol.
Where can I buy delta4(8)-Desbenzylidenerubabine?
You can request a quote for delta4(8)-Desbenzylidenerubabine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for delta4(8)-Desbenzylidenerubabine?
Yes, KEHONG BIO provides custom synthesis services for delta4(8)-Desbenzylidenerubabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.