J1.488.822E
TL;DR: J1.488.822E (CAS 336099-22-0) is a chemical compound with molecular formula C19H31NO2 and molecular weight 305.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aR,5S,8aR,9aR)-3-(diethylaminomethyl)-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Also Known As: J1.488.822E, (3R)-3beta-(Diethylaminomethyl)-5beta,8abeta-dimethyl-2,3,3aalpha,5,6,7,8,8a,9,9aalpha-decahydronaphtho[2,3-b]furan-2-one, (3R,3aR,5S,8aR,9aR)-3-[(Diethylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one, (3R,3aR,5S,8aR,9aR)-3-[(diethylamino)methyl]-5,8a-dimethyl-2H,3H,3aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
| Molecular Formula | C19H31NO2 |
|---|---|
| Molecular Weight | 305.24 g/mol |
| LogP | 3.6424 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.23547 |
| Heavy Atoms | 22 |
| Complexity | 468.05563 |
Chemical Identifiers
| CAS Number | 336099-22-0 |
|---|---|
| SMILES | CCN(CC)C[C@H]1[C@H]2C=C3[C@H](CCC[C@@]3(C[C@H]2OC1=O)C)C |
Product Overview
J1.488.822E (CAS 336099-22-0), with molecular formula C19H31NO2 and molecular weight 305.24 g/mol. IUPAC: (3R,3aR,5S,8aR,9aR)-3-(diethylaminomethyl)-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one.
Chemical Property Profile of J1.488.822E
Property Insights of J1.488.822E
The XLogP value of 3.6424 indicates that J1.488.822E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, J1.488.822E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.488.822E 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 J1.488.822E?
The CAS number of J1.488.822E is 336099-22-0.
What is the molecular formula of J1.488.822E?
The molecular formula of J1.488.822E is C19H31NO2.
What is the molecular weight of J1.488.822E?
The molecular weight of J1.488.822E is 305.24 g/mol.
Where can I buy J1.488.822E?
You can request a quote for J1.488.822E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.488.822E?
Yes, KEHONG BIO provides custom synthesis services for J1.488.822E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.