(1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
TL;DR: (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one (CAS 5674-91-9) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8aS)-1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
Also Known As: dl-epi-pyroangolensolide, (+/-)-epi-pyroangolensolide, KST-1A6100, (1r,8as)-1-(furan-3-yl)-5,8a-dimethyl-1,7,8,8a-tetrahydro-3h-isochromen-3-one, (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 5674-91-9 |
|---|---|
| SMILES | CC1=CCC[C@]2(C1=CC(=O)O[C@H]2C3=COC=C3)C |
| InChIKey | PFXGEOGHUCCQPU-GJZGRUSLSA-N |
Product Overview
(1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one (CAS 5674-91-9), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: (1R,8aS)-1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one.
Chemical Property Profile of (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
Property Insights of (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one. With a topological polar surface area (TPSA) of 39.4 Ų, (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one 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 (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one?
The CAS number of (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one is 5674-91-9.
What is the molecular formula of (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one?
The molecular formula of (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one is C15H16O3.
What is the molecular weight of (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one?
The molecular weight of (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one is 244.11 g/mol.
Where can I buy (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one?
You can request a quote for (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,8aS)-1-Furan-3-yl-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.