3,6-bis(trichloromethyl)-1,2,4,5,3
TL;DR: 3,6-bis(trichloromethyl)-1,2,4,5,3 (CAS 5241-47-4) is a chemical compound with molecular formula C2H4Cl6N4O2P2 and molecular weight 387.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-bis(trichloromethyl)-1,2,4,5,3λ5,6λ5-tetrazadiphosphinane 3,6-dioxide
Also Known As: 3,6-bis(trichloromethyl)-1,2,4,5,3, 3,6-Bis(trichloromethyl)-1,2,4,5,3lambda~5~,6lambda~5~-tetrazadiphosphinane-3,6-dione, 3,6-Bis(trichloromethyl)-1,2,4,5,3lambda5,6lambda5-tetrazadiphosphinane 3,6-dioxide
| Molecular Formula | C2H4Cl6N4O2P2 |
|---|---|
| Molecular Weight | 387.79 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 387.79407 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 5241-47-4 |
|---|---|
| SMILES | C(P1(=O)NNP(=O)(NN1)C(Cl)(Cl)Cl)(Cl)(Cl)Cl |
| InChIKey | NVGQEUBNQDCSMF-UHFFFAOYSA-N |
Product Overview
3,6-bis(trichloromethyl)-1,2,4,5,3 (CAS 5241-47-4), with molecular formula C2H4Cl6N4O2P2 and molecular weight 387.79 g/mol. IUPAC: 3,6-bis(trichloromethyl)-1,2,4,5,3λ5,6λ5-tetrazadiphosphinane 3,6-dioxide.
Chemical Property Profile of 3,6-bis(trichloromethyl)-1,2,4,5,3
Property Insights of 3,6-bis(trichloromethyl)-1,2,4,5,3
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-bis(trichloromethyl)-1,2,4,5,3. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-bis(trichloromethyl)-1,2,4,5,3. Following Lipinski's Rule of Five, 3,6-bis(trichloromethyl)-1,2,4,5,3 has 4 hydrogen bond donor(s) and 6 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 3,6-bis(trichloromethyl)-1,2,4,5,3?
The CAS number of 3,6-bis(trichloromethyl)-1,2,4,5,3 is 5241-47-4.
What is the molecular formula of 3,6-bis(trichloromethyl)-1,2,4,5,3?
The molecular formula of 3,6-bis(trichloromethyl)-1,2,4,5,3 is C2H4Cl6N4O2P2.
What is the molecular weight of 3,6-bis(trichloromethyl)-1,2,4,5,3?
The molecular weight of 3,6-bis(trichloromethyl)-1,2,4,5,3 is 387.79 g/mol.
Where can I buy 3,6-bis(trichloromethyl)-1,2,4,5,3?
You can request a quote for 3,6-bis(trichloromethyl)-1,2,4,5,3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-bis(trichloromethyl)-1,2,4,5,3?
Yes, KEHONG BIO provides custom synthesis services for 3,6-bis(trichloromethyl)-1,2,4,5,3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.