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. : | 1373253-26-9 | MDL No. : | MFCD20489148 |
Formula : | C17H22N2O3S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JICKOKVDHRVNEZ-UHFFFAOYSA-N |
M.W : | 334.43 | Pubchem ID : | 56965751 |
Synonyms : |
|
Num. heavy atoms : | 23 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.29 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 95.18 |
TPSA : | 92.01 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -8.92 cm/s |
Log Po/w (iLOGP) : | 1.02 |
Log Po/w (XLOGP3) : | -0.81 |
Log Po/w (WLOGP) : | 2.3 |
Log Po/w (MLOGP) : | 1.68 |
Log Po/w (SILICOS-IT) : | 2.56 |
Consensus Log Po/w : | 1.35 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.59 |
Solubility : | 8.57 mg/ml ; 0.0256 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.64 |
Solubility : | 76.1 mg/ml ; 0.228 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -4.55 |
Solubility : | 0.00951 mg/ml ; 0.0000284 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.83 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 1965305-27-4 ]
1-Benzhydrylazetidin-3-amine hydrochloride
Similarity: 0.75
[ 33301-41-6 ]
1-Benzhydrylazetidin-3-yl methanesulfonate
Similarity: 0.75
[ 1588441-06-8 ]
1-Benzhydrylpiperazine hydrate
Similarity: 0.74
[ 1965305-27-4 ]
1-Benzhydrylazetidin-3-amine hydrochloride
Similarity: 0.75
[ 702699-84-1 ]
(S)-N1,N1-Dimethyl-2-phenylethane-1,2-diamine
Similarity: 0.66
[ 854056-07-8 ]
(S)-N-(2,6-Dimethylphenyl)-1-propylpiperidine-2-carboxamide methanesulfonate
Similarity: 0.64
[ 54151-52-9 ]
1-(3,4-Dihydroisoquinolin-2(1H)-yl)propan-2-amine
Similarity: 0.63
[ 1965305-27-4 ]
1-Benzhydrylazetidin-3-amine hydrochloride
Similarity: 0.75
[ 33301-41-6 ]
1-Benzhydrylazetidin-3-yl methanesulfonate
Similarity: 0.75
[ 1965305-27-4 ]
1-Benzhydrylazetidin-3-amine hydrochloride
Similarity: 0.75
[ 33301-41-6 ]
1-Benzhydrylazetidin-3-yl methanesulfonate
Similarity: 0.75
[ 36476-86-5 ]
1-Benzhydrylazetidine-3-carbonitrile
Similarity: 0.66