RefChem:209048
TL;DR: RefChem:209048 (CAS 52061-43-5) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5S,8aS)-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-8-one
Also Known As: J1.034.179E, (4aR,5S,8aS)-4a,5,6,7,8a,9-Hexahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-8(4H)-one, 4,4a,5,6,8aalpha,9-Hexahydro-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-8(7H)-one, (4aR,5S,8aS)-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-8-one, (4aR,5S,8aS)-3,4a,5-Trimethyl-4a,5,6,7,8a,9-hexahydronaphtho[2,3-b]furan-8(4H)-one
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 52061-43-5 |
|---|---|
| SMILES | C[C@H]1CCC(=O)[C@@H]2[C@@]1(CC3=C(C2)OC=C3C)C |
| InChIKey | MHEQQQWHNMVBFL-JVLSTEMRSA-N |
Product Overview
RefChem:209048 (CAS 52061-43-5), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: (4aR,5S,8aS)-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-8-one.
Chemical Property Profile of RefChem:209048
Property Insights of RefChem:209048
The XLogP value of 3.0 indicates that RefChem:209048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.2 Ų, RefChem:209048 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:209048 has 0 hydrogen bond donor(s) and 2 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 RefChem:209048?
The CAS number of RefChem:209048 is 52061-43-5.
What is the molecular formula of RefChem:209048?
The molecular formula of RefChem:209048 is C15H20O2.
What is the molecular weight of RefChem:209048?
The molecular weight of RefChem:209048 is 232.15 g/mol.
Where can I buy RefChem:209048?
You can request a quote for RefChem:209048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:209048?
Yes, KEHONG BIO provides custom synthesis services for RefChem:209048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.