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. : | 1598381-36-2 | MDL No. : | MFCD19708011 |
Formula : | C8H15ClN2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | UFBTXWAQKVRUBD-UHFFFAOYSA-N |
M.W : | 206.67 | Pubchem ID : | 73554928 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.88 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 58.45 |
TPSA : | 50.36 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) : | -6.98 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 0.82 |
Log Po/w (WLOGP) : | 0.28 |
Log Po/w (MLOGP) : | 0.56 |
Log Po/w (SILICOS-IT) : | 0.95 |
Consensus Log Po/w : | 0.52 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.64 |
Solubility : | 4.76 mg/ml ; 0.023 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.46 |
Solubility : | 7.17 mg/ml ; 0.0347 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.81 |
Solubility : | 3.17 mg/ml ; 0.0153 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.6 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 1209319-87-8 ]
tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate
Similarity: 0.90
[ 1159826-67-1 ]
tert-Butyl (piperidin-3-ylmethyl)carbamate hydrochloride
Similarity: 0.88
[ 135632-53-0 ]
tert-Butyl (piperidin-4-ylmethyl)carbamate
Similarity: 0.87
[ 406235-30-1 ]
1-Boc-4-Hydroxy-4-methylpiperidine
Similarity: 0.86
[ 1179338-62-5 ]
tert-Butyl 4-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylate
Similarity: 0.86
[ 1209319-87-8 ]
tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate
Similarity: 0.90
[ 1159826-67-1 ]
tert-Butyl (piperidin-3-ylmethyl)carbamate hydrochloride
Similarity: 0.88
[ 135632-53-0 ]
tert-Butyl (piperidin-4-ylmethyl)carbamate
Similarity: 0.87
[ 406235-30-1 ]
1-Boc-4-Hydroxy-4-methylpiperidine
Similarity: 0.86
[ 1179338-62-5 ]
tert-Butyl 4-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylate
Similarity: 0.86
[ 478832-21-2 ]
tert-Butyl 4-hydroxyazepane-1-carboxylate
Similarity: 0.80
[ 287114-25-4 ]
tert-Butyl 8-azabicyclo[3.2.1]octan-3-ylcarbamate
Similarity: 0.80
[ 1187933-06-7 ]
tert-Butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-5(6H)-carboxylate hydrochloride
Similarity: 0.79
[ 1588507-46-3 ]
cis-tert-Butyl octahydropyrrolo[3,4-d]azepine-2(1H)-carboxylate hydrochloride
Similarity: 0.79
[ 478837-18-2 ]
tert-Butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
Similarity: 0.78
[ 1209319-87-8 ]
tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate
Similarity: 0.90
[ 1159826-67-1 ]
tert-Butyl (piperidin-3-ylmethyl)carbamate hydrochloride
Similarity: 0.88
[ 135632-53-0 ]
tert-Butyl (piperidin-4-ylmethyl)carbamate
Similarity: 0.87
[ 406235-30-1 ]
1-Boc-4-Hydroxy-4-methylpiperidine
Similarity: 0.86
[ 1179338-62-5 ]
tert-Butyl 4-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylate
Similarity: 0.86
[ 1209319-87-8 ]
tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate
Similarity: 0.90
[ 147804-30-6 ]
tert-Butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate
Similarity: 0.83
[ 1279866-58-8 ]
tert-Butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride
Similarity: 0.82
[ 1023301-88-3 ]
tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate hydrochloride
Similarity: 0.82
[ 173405-78-2 ]
tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
Similarity: 0.82