3-epi-Perforenone A
TL;DR: 3-epi-Perforenone A (CAS 66141-71-7) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,4aR)-3-hydroxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
Also Known As: 3-Epi-perforenone A, J1.891.072A, (3R,4R,4aR)-3-hydroxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one, (1R,2R,9aR)-2-hydroxy-1,4,7,9a-tetramethyl-2,3,5,6,9,9a-hexahydro-1H-benzo[7]annulen-3-one, (3R,4R,4aR)-1,4,4a,7-Tetramethyl-3-hydroxy-3,4,4a,5,8,9-hexahydro-2H-benzocycloheptene-2-one
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 66141-71-7 |
|---|---|
| SMILES | C[C@H]1[C@H](C(=O)C(=C2[C@@]1(CC=C(CC2)C)C)C)O |
| InChIKey | FUPXAIKSURJKNB-NILFDRSVSA-N |
Product Overview
3-epi-Perforenone A (CAS 66141-71-7), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (3R,4R,4aR)-3-hydroxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one.
Chemical Property Profile of 3-epi-Perforenone A
Property Insights of 3-epi-Perforenone A
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-epi-Perforenone A. With a topological polar surface area (TPSA) of 37.3 Ų, 3-epi-Perforenone A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-epi-Perforenone A has 1 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 3-epi-Perforenone A?
The CAS number of 3-epi-Perforenone A is 66141-71-7.
What is the molecular formula of 3-epi-Perforenone A?
The molecular formula of 3-epi-Perforenone A is C15H22O2.
What is the molecular weight of 3-epi-Perforenone A?
The molecular weight of 3-epi-Perforenone A is 234.16 g/mol.
Where can I buy 3-epi-Perforenone A?
You can request a quote for 3-epi-Perforenone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-epi-Perforenone A?
Yes, KEHONG BIO provides custom synthesis services for 3-epi-Perforenone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.