Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 15802-00-3 | MDL No. : | MFCD00059121 |
Formula : | C16H36Br2IN | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | LFZGDXLUTJIZAG-UHFFFAOYSA-N |
M.W : | 529.18 | Pubchem ID : | 13867581 |
Synonyms : |
Tetra-n-butylammonium dibromoiodide
|
Chemical Name : | Tetrabutylammonium Dibromoiodide |
Num. heavy atoms : | 20 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 12 |
Num. H-bond acceptors : | 0.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 113.27 |
TPSA : | 0.0 Ų |
GI absorption : | Low |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.08 cm/s |
Log Po/w (iLOGP) : | -0.69 |
Log Po/w (XLOGP3) : | 3.45 |
Log Po/w (WLOGP) : | 3.7 |
Log Po/w (MLOGP) : | 1.93 |
Log Po/w (SILICOS-IT) : | 2.29 |
Consensus Log Po/w : | 2.14 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 1.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.5 |
Solubility : | 0.0166 mg/ml ; 0.0000314 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -3.13 |
Solubility : | 0.391 mg/ml ; 0.000739 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -6.35 |
Solubility : | 0.000237 mg/ml ; 0.000000449 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 2.56 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | UN#: | N/A |
Hazard Statements: | H315-H319 | Packing Group: | N/A |
GHS Pictogram: |