![Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate structure](/static/products/6949/69496-46-4.webp)
Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate
TL;DR: Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate (CAS 69496-46-4) is a chemical compound with molecular formula C14H14Cl6N2O6 and molecular weight 515.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.02,4.06,8]decane-9,10-dicarboxylate
Also Known As: Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate, bis(2,2,2-trichloroethyl) (1S,2S,4R,5S,6R,8S)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.02,4.06,8]decane-9,10-dicarboxylate
| Molecular Formula | C14H14Cl6N2O6 |
|---|---|
| Molecular Weight | 515.90 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.8983 |
| Heavy Atoms | 28 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 69496-46-4 |
|---|---|
| SMILES | C[C@]12[C@@H]3[C@H]4[C@H](O4)[C@@H]([C@]1(O2)C)N(N3C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl |
| InChIKey | NFJUKDCNYCIUKY-YMDUQEPISA-N |
Product Overview
Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate (CAS 69496-46-4), with molecular formula C14H14Cl6N2O6 and molecular weight 515.90 g/mol. IUPAC: bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.02,4.06,8]decane-9,10-dicarboxylate.
Chemical Property Profile of Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate
Property Insights of Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate
The XLogP value of 3.5 indicates that Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate. Following Lipinski's Rule of Five, Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate?
The CAS number of Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate is 69496-46-4.
What is the molecular formula of Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate?
The molecular formula of Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate is C14H14Cl6N2O6.
What is the molecular weight of Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate?
The molecular weight of Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate is 515.90 g/mol.
Where can I buy Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate?
You can request a quote for Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,2,2-trichloroethyl) (1S,2R,4S,5S,6S,8R)-2,4-dimethyl-3,7-dioxa-9,10-diazatetracyclo[3.3.2.0~2,4~.0~6,8~]decane-9,10-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.