Anhydrolactarorufin A
TL;DR: Anhydrolactarorufin A (CAS 58757-92-9) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8aR,9S)-9-hydroxy-5,7,7-trimethyl-1,4,6,8,8a,9-hexahydroazuleno[5,6-c]furan-3-one
Also Known As: Anhydrolactarorufin A, anhydrolactafurin A, anhydro deconjugated lactarorufin A, (8aR,9S)-9-hydroxy-5,7,7-trimethyl-1,4,6,8,8a,9-hexahydroazuleno[5,6-c]furan-3-one, 4-Hydroxy-6,6,8-trimethyl-4,4a,5,6,7,9-hexahydroazuleno[5,6-c]furan-1(3H)-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 58757-92-9 |
|---|---|
| SMILES | CC1=C2CC(C[C@H]2[C@@H](C3=C(C1)C(=O)OC3)O)(C)C |
| InChIKey | NSTRZEDMEPEPFC-YPMHNXCESA-N |
Product Overview
Anhydrolactarorufin A (CAS 58757-92-9), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (8aR,9S)-9-hydroxy-5,7,7-trimethyl-1,4,6,8,8a,9-hexahydroazuleno[5,6-c]furan-3-one.
Chemical Property Profile of Anhydrolactarorufin A
Property Insights of Anhydrolactarorufin A
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anhydrolactarorufin A. With a topological polar surface area (TPSA) of 46.5 Ų, Anhydrolactarorufin A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anhydrolactarorufin A has 1 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 Anhydrolactarorufin A?
The CAS number of Anhydrolactarorufin A is 58757-92-9.
What is the molecular formula of Anhydrolactarorufin A?
The molecular formula of Anhydrolactarorufin A is C15H20O3.
What is the molecular weight of Anhydrolactarorufin A?
The molecular weight of Anhydrolactarorufin A is 248.14 g/mol.
Where can I buy Anhydrolactarorufin A?
You can request a quote for Anhydrolactarorufin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anhydrolactarorufin A?
Yes, KEHONG BIO provides custom synthesis services for Anhydrolactarorufin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.