Hallactone B
TL;DR: Hallactone B (CAS 35470-59-8) is a chemical compound with molecular formula C20H24O9S and molecular weight 440.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2R)-2-hydroxy-1-methylsulfonylpropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione
Also Known As: Hallactone B, (1S,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2R)-2-hydroxy-1-methylsulfonylpropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione, (1S,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2R)-2-hydroxy-1-methanesulfonylpropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione, (4R,4aS,5aR,5bS,5cR,7aR,7bR,8aS,9aS)-4-[(2R)-2-Hydroxy-1-(methanesulfonyl)propan-2-yl]-7a,9a-dimethyl-5a,5b,5c,7a,7b,8a,9,9a-octahydro-2H,4H,7H-furo[2',3',4':4,5]bisoxireno[2,3:6,7]naphtho[2,1-c]pyran-2,7-dione, (4R,4aS,5aR,5bS,5cR,7aR,7bR,8aS,9aS)-4-[(2R)-2-hydroxy-1-(methylsulfonyl)propan-2-yl]-7a,9a-dimethyl-5a,5b,5c,7a,7b,8a,9,9a-octahydro-2H,7H-oxireno[4,5][2]benzofuro[7,1-fg]oxireno[i]isochromene-2,7-dione
| Molecular Formula | C20H24O9S |
|---|---|
| Molecular Weight | 440.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.1141 |
| Heavy Atoms | 30 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 35470-59-8 |
|---|---|
| SMILES | C[C@]12C[C@H]3[C@H](O3)[C@]4([C@@H]1[C@@H]([C@@H]5[C@]6(C2=CC(=O)O[C@@H]6[C@](C)(CS(=O)(=O)C)O)O5)OC4=O)C |
| InChIKey | AVQGMZMZZORTNF-KTFIAZJISA-N |
Product Overview
Hallactone B (CAS 35470-59-8), with molecular formula C20H24O9S and molecular weight 440.11 g/mol. IUPAC: (1S,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2R)-2-hydroxy-1-methylsulfonylpropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione.
Chemical Property Profile of Hallactone B
Property Insights of Hallactone B
The XLogP value of -1.1 indicates that Hallactone B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting Hallactone B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hallactone B has 1 hydrogen bond donor(s) and 9 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 Hallactone B?
The CAS number of Hallactone B is 35470-59-8.
What is the molecular formula of Hallactone B?
The molecular formula of Hallactone B is C20H24O9S.
What is the molecular weight of Hallactone B?
The molecular weight of Hallactone B is 440.11 g/mol.
Where can I buy Hallactone B?
You can request a quote for Hallactone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hallactone B?
Yes, KEHONG BIO provides custom synthesis services for Hallactone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.