Pyroangolensolide
TL;DR: Pyroangolensolide (CAS 25992-11-4) 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,8aR)-1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
Also Known As: Pyroangolensolide, NCI60_036910, (1R,8aR)-1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one, (1r,8ar)-1-(3-furyl)-5,8a-dimethyl-7,8-dihydro-1h-isochromen-3-one, (1R)-1-(3-Furyl)-1,7,8,8a-tetrahydro-5,8aalpha-dimethyl-3H-2-benzopyran-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 | 25992-11-4 |
|---|---|
| SMILES | CC1=CCC[C@@]2(C1=CC(=O)O[C@H]2C3=COC=C3)C |
| InChIKey | PFXGEOGHUCCQPU-LSDHHAIUSA-N |
Product Overview
Pyroangolensolide (CAS 25992-11-4), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: (1R,8aR)-1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one.
Chemical Property Profile of Pyroangolensolide
Property Insights of Pyroangolensolide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyroangolensolide. With a topological polar surface area (TPSA) of 39.4 Ų, Pyroangolensolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyroangolensolide 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 Pyroangolensolide?
The CAS number of Pyroangolensolide is 25992-11-4.
What is the molecular formula of Pyroangolensolide?
The molecular formula of Pyroangolensolide is C15H16O3.
What is the molecular weight of Pyroangolensolide?
The molecular weight of Pyroangolensolide is 244.11 g/mol.
Where can I buy Pyroangolensolide?
You can request a quote for Pyroangolensolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyroangolensolide?
Yes, KEHONG BIO provides custom synthesis services for Pyroangolensolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.