Dibalanocarpol
TL;DR: Dibalanocarpol (CAS 204644-73-5) is a chemical compound with molecular formula C56H42O14 and molecular weight 938.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8S,9S,16R)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8S,9S,16R)-4,6,9,12-tetrahydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol
Also Known As: Dibalanocarpol, bis(4-hydroxyphenyl)-[tetrahydroxy-bis(4-hydroxyphenyl)[?]yl][?]tetrol, (1R,8S,9S,16R)-8,16-bis(4-hydroxyphenyl)-9-((1R,8S,9S,16R)-4,6,9,12-tetrahydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo(8.6.1.02,7.014,17)heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl)-15-oxatetracyclo(8.6.1.02,7.014,17)heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol, (1R,8S,9S,16R)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8S,9S,16R)-4,6,9,12-tetrahydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol, (1R,8S,9S,16R)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8S,9S,16R)-4,6,9,12-tetrahydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-4,6,9,12-tetrol
| Molecular Formula | C56H42O14 |
|---|---|
| Molecular Weight | 938.26 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 261.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 938.25745 |
| Heavy Atoms | 70 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 204644-73-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@H]2[C@@H]3C4=C([C@@H]([C@](C5=C3C(=CC(=C5)O)O2)([C@@]6([C@H](C7=C(C=C(C=C7O)O)[C@H]8[C@@H](OC9=CC(=CC6=C89)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O)O)C1=CC=C(C=C1)O)C(=CC(=C4)O)O)O |
| InChIKey | AETOAAQSGCSQKP-PWJWKHQFSA-N |
Product Overview
Dibalanocarpol (CAS 204644-73-5), with molecular formula C56H42O14 and molecular weight 938.26 g/mol. IUPAC: (1R,8S,9S,16R)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8S,9S,16R)-4,6,9,12-tetrahydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol.
Chemical Property Profile of Dibalanocarpol
Property Insights of Dibalanocarpol
The XLogP value of 7.0 indicates that Dibalanocarpol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 261.0 Ų indicates high polarity, suggesting Dibalanocarpol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dibalanocarpol has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibalanocarpol?
The CAS number of Dibalanocarpol is 204644-73-5.
What is the molecular formula of Dibalanocarpol?
The molecular formula of Dibalanocarpol is C56H42O14.
What is the molecular weight of Dibalanocarpol?
The molecular weight of Dibalanocarpol is 938.26 g/mol.
Where can I buy Dibalanocarpol?
You can request a quote for Dibalanocarpol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibalanocarpol?
Yes, KEHONG BIO provides custom synthesis services for Dibalanocarpol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.