1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-
TL;DR: 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl- (CAS 63978-64-3) is a chemical compound with molecular formula C7H8Cl6O3 and molecular weight 349.86047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2,4-bis(trichloromethyl)-1,3,5-trioxepane
Also Known As: 6-methyl-2,4-bis(trichloromethyl)-1,3,5-trioxepane, 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-, 2,7-Bis(trichloromethyl)-4-methyl-1,3,6-trioxepane, 4-19-00-04721 (Beilstein Handbook Reference), 2,4-Bis-trichlormethyl-6-methyl-[1,3,5]trioxepan
Technical Specifications
| Molecular Formula | C7H8Cl6O3 |
| Molecular Weight | 349.86047 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 351.8575 Da |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
| SMILES | CC1COC(OC(O1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | YCVQMQUVPRRJEC-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-
Property Insights of 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-
The XLogP value of 4.0 indicates that 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl- 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
What is the CAS number of 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-?
The CAS number of 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl- is 63978-64-3.
What is the molecular formula of 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-?
The molecular formula of 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl- is C7H8Cl6O3.
What is the molecular weight of 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-?
The molecular weight of 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl- is 349.86047 g/mol.
Where can I buy 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-?
You can request a quote for 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-?
Yes, CoreyChem provides custom synthesis services for 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.