Hallactone A
TL;DR: Hallactone A (CAS 41787-72-8) is a chemical compound with molecular formula C19H22O6 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4S,5R,6R,9R,17R)-5-hydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
Also Known As: Hallactone A, Hallolactone A, (1S,2R,4S,5R,6R,9R,17R)-5-hydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione, (4bS,8aS)-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol, (1aS,2R,2aR,4aR,4bR,9bS,9cR)-2-Hydroxy-2a,9b-dimethyl-6-(propan-2-yl)-1a,2,2a,4a,4b,5,9b,9c-octahydro-3H,8H-furo[2',3',4':4,5]oxireno[7,8]naphtho[2,1-c]pyran-3,8-dione
| Molecular Formula | C19H22O6 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.14163 |
| Heavy Atoms | 25 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 41787-72-8 |
|---|---|
| SMILES | CC(C)C1=C2C[C@@H]3[C@H]4[C@]([C@H]([C@H]5[C@@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C |
| InChIKey | WXJASYTWXBVSQZ-UOMNFSLCSA-N |
Product Overview
Hallactone A (CAS 41787-72-8), with molecular formula C19H22O6 and molecular weight 346.14 g/mol. IUPAC: (1S,2R,4S,5R,6R,9R,17R)-5-hydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione.
Chemical Property Profile of Hallactone A
Property Insights of Hallactone A
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hallactone A. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Hallactone A. Following Lipinski's Rule of Five, Hallactone A has 1 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 Hallactone A?
The CAS number of Hallactone A is 41787-72-8.
What is the molecular formula of Hallactone A?
The molecular formula of Hallactone A is C19H22O6.
What is the molecular weight of Hallactone A?
The molecular weight of Hallactone A is 346.14 g/mol.
Where can I buy Hallactone A?
You can request a quote for Hallactone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hallactone A?
Yes, KEHONG BIO provides custom synthesis services for Hallactone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.