(1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene
TL;DR: (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene (CAS 412930-22-4) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene
Also Known As: J1.654.442F, (1R,3aS,4S,6aS)-1,4-dimethoxy-octahydropentalene, (1alpha,5alpha)-4beta,8alpha-Dimethoxybicyclo[3.3.0]octane, (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene, Pentalene, octahydro-1,4-dimethoxy-, (1R,3aR,4S,6aR)-rel- (9CI)
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 1.8364 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 139.91757 |
Chemical Identifiers
| CAS Number | 412930-22-4 |
|---|---|
| SMILES | CO[C@@H]1CC[C@H]2[C@@H]1CC[C@@H]2OC |
Product Overview
(1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene (CAS 412930-22-4), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene.
Chemical Property Profile of (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene
Property Insights of (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene
The XLogP value of 1.8364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene. With a topological polar surface area (TPSA) of 18.46 Ų, (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene 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 (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene?
The CAS number of (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene is 412930-22-4.
What is the molecular formula of (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene?
The molecular formula of (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene is C10H18O2.
What is the molecular weight of (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene?
The molecular weight of (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene is 170.13 g/mol.
Where can I buy (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene?
You can request a quote for (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene?
Yes, KEHONG BIO provides custom synthesis services for (1R,3aS,4S,6aS)-1,4-dimethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.