Achillin
TL;DR: Achillin (CAS 5181-80-6) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Also Known As: ACHILLIN, Leucodin, MEGxp0_001628, (3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione, Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, (3R,3aS,9aS,9bS)-
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 5181-80-6 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C |
| InChIKey | BJPSSVHNEGMBDQ-OAACRXHESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Achillin (CAS 5181-80-6), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: (3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione.
Chemical Property Profile of Achillin
Property Insights of Achillin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Achillin. With a topological polar surface area (TPSA) of 43.4 Ų, Achillin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Achillin has 0 hydrogen bond donor(s) and 3 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 Achillin?
The CAS number of Achillin is 5181-80-6.
What is the molecular formula of Achillin?
The molecular formula of Achillin is C15H18O3.
What is the molecular weight of Achillin?
The molecular weight of Achillin is 246.13 g/mol.
Where can I buy Achillin?
You can request a quote for Achillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Achillin?
Yes, KEHONG BIO provides custom synthesis services for Achillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.