Home Cart 0 Sign in  

[ CAS No. 1160246-71-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1160246-71-8
Chemical Structure| 1160246-71-8
Structure of 1160246-71-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1160246-71-8 ]

Related Doc. of [ 1160246-71-8 ]

Alternatived Products of [ 1160246-71-8 ]

Product Details of [ 1160246-71-8 ]

CAS No. :1160246-71-8 MDL No. :MFCD12198505
Formula : C12H20N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :LNWMIRKPCFFSTI-UHFFFAOYSA-N
M.W : 240.30 Pubchem ID :56962202
Synonyms :

Calculated chemistry of [ 1160246-71-8 ]

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 70.75
TPSA : 58.64 Ų

Pharmacokinetics

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) : -7.43 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.13
Log Po/w (XLOGP3) : 0.48
Log Po/w (WLOGP) : 0.37
Log Po/w (MLOGP) : 1.68
Log Po/w (SILICOS-IT) : 1.01
Consensus Log Po/w : 1.13

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.43
Solubility : 8.84 mg/ml ; 0.0368 mol/l
Class : Very soluble
Log S (Ali) : -1.28
Solubility : 12.6 mg/ml ; 0.0524 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.99
Solubility : 2.45 mg/ml ; 0.0102 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.23

Safety of [ 1160246-71-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1160246-71-8 ]

Amides

Chemical Structure| 923009-50-1

[ 923009-50-1 ]

tert-Butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

Similarity: 0.96

Chemical Structure| 915226-43-6

[ 915226-43-6 ]

(R)-tert-Butyl 3-carbamoylpiperidine-1-carboxylate

Similarity: 0.96

Chemical Structure| 91419-49-7

[ 91419-49-7 ]

1-Boc-3-Carbamoylpiperidine

Similarity: 0.96

Chemical Structure| 1158750-91-4

[ 1158750-91-4 ]

tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

Similarity: 0.93

Chemical Structure| 268550-48-7

[ 268550-48-7 ]

tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

Similarity: 0.93

Related Parent Nucleus of
[ 1160246-71-8 ]

Aliphatic Heterocycles

Chemical Structure| 915226-43-6

[ 915226-43-6 ]

(R)-tert-Butyl 3-carbamoylpiperidine-1-carboxylate

Similarity: 0.96

Chemical Structure| 91419-49-7

[ 91419-49-7 ]

1-Boc-3-Carbamoylpiperidine

Similarity: 0.96

Chemical Structure| 1158750-91-4

[ 1158750-91-4 ]

tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

Similarity: 0.93

Chemical Structure| 268550-48-7

[ 268550-48-7 ]

tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

Similarity: 0.93

Chemical Structure| 91419-48-6

[ 91419-48-6 ]

tert-Butyl 4-carbamoylpiperidine-1-carboxylate

Similarity: 0.93

Azetidines

Chemical Structure| 1234616-51-3

[ 1234616-51-3 ]

tert-Butyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

Similarity: 0.91

Chemical Structure| 1147423-01-5

[ 1147423-01-5 ]

tert-Butyl 7-acetyl-2,7-diazaspiro[3.5]nonane-2-carboxylate

Similarity: 0.89

Chemical Structure| 486415-29-6

[ 486415-29-6 ]

tert-Butyl 3-carbamoylazetidine-1-carboxylate

Similarity: 0.86

Chemical Structure| 236406-55-6

[ 236406-55-6 ]

2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane

Similarity: 0.84

Chemical Structure| 896464-16-7

[ 896464-16-7 ]

tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate

Similarity: 0.84

Piperidines

Chemical Structure| 923009-50-1

[ 923009-50-1 ]

tert-Butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

Similarity: 0.96

Chemical Structure| 915226-43-6

[ 915226-43-6 ]

(R)-tert-Butyl 3-carbamoylpiperidine-1-carboxylate

Similarity: 0.96

Chemical Structure| 91419-49-7

[ 91419-49-7 ]

1-Boc-3-Carbamoylpiperidine

Similarity: 0.96

Chemical Structure| 1158750-91-4

[ 1158750-91-4 ]

tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

Similarity: 0.93

Chemical Structure| 268550-48-7

[ 268550-48-7 ]

tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

Similarity: 0.93

Spiroes

Chemical Structure| 923009-50-1

[ 923009-50-1 ]

tert-Butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

Similarity: 0.96

Chemical Structure| 1158750-91-4

[ 1158750-91-4 ]

tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

Similarity: 0.93

Chemical Structure| 268550-48-7

[ 268550-48-7 ]

tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

Similarity: 0.93

Chemical Structure| 169206-67-1

[ 169206-67-1 ]

tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

Similarity: 0.91

Chemical Structure| 1234616-51-3

[ 1234616-51-3 ]

tert-Butyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

Similarity: 0.91