9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine
TL;DR: 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine (CAS 144407-45-4) is a chemical compound with molecular formula C16H28O2 and molecular weight 252.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,6R,9R)-2-(methoxymethyl)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane
Also Known As: Baimuxinol methyl ether, 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine, (2R,6R,9R)-2-(Methoxymethyl)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane, (3R,5aR,9R)-9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine
| Molecular Formula | C16H28O2 |
|---|---|
| Molecular Weight | 252.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.20892 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 144407-45-4 |
|---|---|
| SMILES | C[C@]12CCC[C@@H](C13C[C@@H](CC2)C(O3)(C)C)COC |
| InChIKey | XAYJDOLLZRXDPK-WNJMZYFESA-N |
Product Overview
9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine (CAS 144407-45-4), with molecular formula C16H28O2 and molecular weight 252.21 g/mol. IUPAC: (2R,6R,9R)-2-(methoxymethyl)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane.
Chemical Property Profile of 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine
Property Insights of 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine
The XLogP value of 3.2 indicates that 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine 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 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine?
The CAS number of 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine is 144407-45-4.
What is the molecular formula of 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine?
The molecular formula of 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine is C16H28O2.
What is the molecular weight of 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine?
The molecular weight of 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine is 252.21 g/mol.
Where can I buy 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine?
You can request a quote for 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine?
Yes, KEHONG BIO provides custom synthesis services for 9-(Methoxymethyl)-2,2,5a-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.