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. : | 155497-10-2 | MDL No. : | MFCD04039855 |
Formula : | C17H26N2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | MHRKPCRXBAHJGS-UHFFFAOYSA-N |
M.W : | 276.37 | Pubchem ID : | 5108694 |
Synonyms : |
|
Num. heavy atoms : | 21 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.59 |
Num. rotatable bonds : | 7 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 88.69 |
TPSA : | 41.57 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.05 cm/s |
Log Po/w (iLOGP) : | 3.23 |
Log Po/w (XLOGP3) : | 2.85 |
Log Po/w (WLOGP) : | 2.5 |
Log Po/w (MLOGP) : | 2.43 |
Log Po/w (SILICOS-IT) : | 2.51 |
Consensus Log Po/w : | 2.7 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.19 |
Solubility : | 0.189 mg/ml ; 0.000653 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.38 |
Solubility : | 0.121 mg/ml ; 0.000415 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.37 |
Solubility : | 0.0125 mg/ml ; 0.0000431 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.82 |
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: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
[ 370879-56-4 ]
cis-tert-Butyl 5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Similarity: 0.97
[ 227940-71-8 ]
tert-Butyl 7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Similarity: 0.92
[ 144282-37-1 ]
tert-Butyl (S)-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate
Similarity: 0.89
[ 929301-99-5 ]
tert-Butyl 7-benzyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
Similarity: 0.89
[ 99735-30-5 ]
tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate
Similarity: 0.89
[ 370879-56-4 ]
cis-tert-Butyl 5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Similarity: 0.97
[ 227940-71-8 ]
tert-Butyl 7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Similarity: 0.92
[ 144282-37-1 ]
tert-Butyl (S)-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate
Similarity: 0.89
[ 929301-99-5 ]
tert-Butyl 7-benzyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
Similarity: 0.89
[ 99735-30-5 ]
tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate
Similarity: 0.89
[ 144282-37-1 ]
tert-Butyl (S)-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate
Similarity: 0.89
[ 131878-23-4 ]
(R)-tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate
Similarity: 0.89
[ 99735-30-5 ]
tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate
Similarity: 0.89
[ 73889-19-7 ]
tert-Butyl (1-benzylpiperidin-4-yl)carbamate
Similarity: 0.88
[ 108468-00-4 ]
1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene
Similarity: 0.86
[ 370879-56-4 ]
cis-tert-Butyl 5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Similarity: 0.97
[ 144282-37-1 ]
tert-Butyl (S)-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate
Similarity: 0.89
[ 131878-23-4 ]
(R)-tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate
Similarity: 0.89
[ 929301-99-5 ]
tert-Butyl 7-benzyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
Similarity: 0.89
[ 99735-30-5 ]
tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate
Similarity: 0.89
[ 144282-37-1 ]
tert-Butyl (S)-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate
Similarity: 0.89
[ 131878-23-4 ]
(R)-tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate
Similarity: 0.89
[ 99735-30-5 ]
tert-Butyl (1-benzylpyrrolidin-3-yl)carbamate
Similarity: 0.89
[ 646055-62-1 ]
tert-Butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate
Similarity: 0.86
[ 478832-03-0 ]
tert-Butyl (1-benzyl-5-oxopyrrolidin-3-yl)carbamate
Similarity: 0.78