Bacchotricuneatin B
TL;DR: Bacchotricuneatin B (CAS 65596-26-1) is a chemical compound with molecular formula C20H22O5 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-(furan-3-yl)-8-methylspiro[5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione
Also Known As: BACCHOTRICUNEATIN B, 1,4-diaminoanthraquinone-2,3-disulfonic acid, 5'-(furan-3-yl)-8-methylspiro[5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione, Spiro[furan-3(2H),7'(8'H)-[1H]naphtho[1,8a-c]furan]-2,3'(5'H)-dione, 5-(3-furanyl)-4,5,6',6'a,9',10'-hexahydro-8'-methyl-, [6'aS-[6'a.alpha.,7'.beta.(S*),8'.beta.,10'aR*]]-, 5'-(Furan-3-yl)-8-methyl-6,6a,9,10-tetrahydro-1H,8H-spiro[naphtho[1,8a-c]furan-7,3'-oxolane]-2',3(5H)-dione
| Molecular Formula | C20H22O5 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.14673 |
| Heavy Atoms | 25 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 65596-26-1 |
|---|---|
| SMILES | CC1CCC23COC(=O)C2=CCCC3C14CC(OC4=O)C5=COC=C5 |
| InChIKey | HMAABAHMPJEWDJ-UHFFFAOYSA-N |
Product Overview
Bacchotricuneatin B (CAS 65596-26-1), with molecular formula C20H22O5 and molecular weight 342.15 g/mol. IUPAC: 5'-(furan-3-yl)-8-methylspiro[5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione.
Chemical Property Profile of Bacchotricuneatin B
Property Insights of Bacchotricuneatin B
The XLogP value of 3.2 indicates that Bacchotricuneatin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bacchotricuneatin B. Following Lipinski's Rule of Five, Bacchotricuneatin B has 0 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 Bacchotricuneatin B?
The CAS number of Bacchotricuneatin B is 65596-26-1.
What is the molecular formula of Bacchotricuneatin B?
The molecular formula of Bacchotricuneatin B is C20H22O5.
What is the molecular weight of Bacchotricuneatin B?
The molecular weight of Bacchotricuneatin B is 342.15 g/mol.
Where can I buy Bacchotricuneatin B?
You can request a quote for Bacchotricuneatin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bacchotricuneatin B?
Yes, KEHONG BIO provides custom synthesis services for Bacchotricuneatin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.