Aquilegiolide
TL;DR: Aquilegiolide (CAS 94481-79-5) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
Also Known As: Aquilegiolide, (-)-Aquilegiolide, (6s,7as)-6-hydroxy-7,7a-dihydro-1-benzofuran-2(6h)-one, J2.365.131I, (6S,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 94481-79-5 |
|---|---|
| SMILES | C1[C@@H](C=CC2=CC(=O)O[C@H]21)O |
| InChIKey | RAXNUTINVDSFEU-RQJHMYQMSA-N |
Product Overview
Aquilegiolide (CAS 94481-79-5), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: (6S,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one.
Chemical Property Profile of Aquilegiolide
Property Insights of Aquilegiolide
The XLogP value of -0.1 indicates that Aquilegiolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Aquilegiolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aquilegiolide 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 Aquilegiolide?
The CAS number of Aquilegiolide is 94481-79-5.
What is the molecular formula of Aquilegiolide?
The molecular formula of Aquilegiolide is C8H8O3.
What is the molecular weight of Aquilegiolide?
The molecular weight of Aquilegiolide is 152.05 g/mol.
Where can I buy Aquilegiolide?
You can request a quote for Aquilegiolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aquilegiolide?
Yes, KEHONG BIO provides custom synthesis services for Aquilegiolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.