3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)-
TL;DR: 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)- (CAS 126754-18-5) 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.
(1S,5S,8aR)-1-(furan-3-yl)-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-isochromen-3-one
Also Known As: 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)-, (1S,5S,8aR)-1-(Furan-3-yl)-5,8a-dimethyl-1,5,6,7,8,8a-hexahydro-3H-2-benzopyran-3-one, (1S,5S,8aR)-1-(furan-3-yl)-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-isochromen-3-one, (1S,5S,8aS)-1-(3-furyl)-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-isochromen-3-one, 1-(Furan-3-yl)-5,8a-dimethyl-1,5,6,7,8,8a-hexahydro-3H-2-benzopyran-3-one
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 126754-18-5 |
|---|---|
| SMILES | C[C@H]1CCC[C@@]2(C1=CC(=O)O[C@@H]2C3=COC=C3)C |
| InChIKey | YJHKASLCUFUXBQ-COLVAYQJSA-N |
Product Overview
3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)- (CAS 126754-18-5), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: (1S,5S,8aR)-1-(furan-3-yl)-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-isochromen-3-one.
Chemical Property Profile of 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)-
Property Insights of 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)-
The XLogP value of 3.0 indicates that 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)- 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 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)-?
The CAS number of 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)- is 126754-18-5.
What is the molecular formula of 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)-?
The molecular formula of 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)- is C15H18O3.
What is the molecular weight of 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)-?
The molecular weight of 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)- is 246.13 g/mol.
Where can I buy 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)-?
You can request a quote for 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,5,6,7,8,8a-hexahydro-5,8a-dimethyl-, (1alpha,5alpha,8abeta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.