Home Cart 0 Sign in  

[ CAS No. 1651840-84-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1651840-84-4
Chemical Structure| 1651840-84-4
Structure of 1651840-84-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1651840-84-4 ]

Related Doc. of [ 1651840-84-4 ]

Alternatived Products of [ 1651840-84-4 ]

Product Details of [ 1651840-84-4 ]

CAS No. :1651840-84-4 MDL No. :MFCD28054406
Formula : C18H32N2O6 Boiling Point : -
Linear Structure Formula :- InChI Key :XZXYCQCIQSKHHF-UHFFFAOYSA-N
M.W : 372.46 Pubchem ID :90645632
Synonyms :

Calculated chemistry of [ 1651840-84-4 ]

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.89
Num. rotatable bonds : 1
Num. H-bond acceptors : 8.0
Num. H-bond donors : 4.0
Molar Refractivity : 103.04
TPSA : 117.12 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) : -11.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.15
Log Po/w (XLOGP3) : -4.04
Log Po/w (WLOGP) : -0.05
Log Po/w (MLOGP) : 0.03
Log Po/w (SILICOS-IT) : 2.01
Consensus Log Po/w : 0.02

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.46
Solubility : 1080.0 mg/ml ; 2.9 mol/l
Class : Highly soluble
Log S (Ali) : 2.18
Solubility : 56600.0 mg/ml ; 152.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -1.85
Solubility : 5.24 mg/ml ; 0.0141 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.55

Safety of [ 1651840-84-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Parent Nucleus of
[ 1651840-84-4 ]

Aliphatic Heterocycles

Chemical Structure| 1588441-03-5

[ 1588441-03-5 ]

2-Oxa-8-azaspiro[4.5]decane oxalate

Similarity: 0.87

Chemical Structure| 1429056-28-9

[ 1429056-28-9 ]

2-Oxa-7-azaspiro[3.5]nonane oxalate(2:1)

Similarity: 0.84

Chemical Structure| 1408076-14-1

[ 1408076-14-1 ]

1-Oxa-7-azaspiro[3.5]nonane oxalate

Similarity: 0.76

Chemical Structure| 1523606-44-1

[ 1523606-44-1 ]

1-Oxa-6-azaspiro[3.5]nonane hemioxalate

Similarity: 0.73

Chemical Structure| 1427359-47-4

[ 1427359-47-4 ]

5-Oxa-2-azaspiro[3.5]nonane oxalate

Similarity: 0.73

Pyrrolidines

Chemical Structure| 726139-60-2

[ 726139-60-2 ]

Ethyl 2-(pyrrolidin-3-yl)acetate hydrochloride

Similarity: 0.70

Chemical Structure| 80616-50-8

[ 80616-50-8 ]

2-(Pyrrolidin-3-yl)acetic acid hydrochloride

Similarity: 0.65

Chemical Structure| 535924-74-4

[ 535924-74-4 ]

(S)-3-(Methoxymethyl)pyrrolidine

Similarity: 0.63

Chemical Structure| 1588440-97-4

[ 1588440-97-4 ]

2,6-Diazaspiro[3.4]octan-7-one oxalate

Similarity: 0.63

Chemical Structure| 955400-18-7

[ 955400-18-7 ]

(R)-3-(Methoxymethyl)pyrrolidine hydrochloride

Similarity: 0.62

Spiroes

Chemical Structure| 1588441-03-5

[ 1588441-03-5 ]

2-Oxa-8-azaspiro[4.5]decane oxalate

Similarity: 0.87

Chemical Structure| 1429056-28-9

[ 1429056-28-9 ]

2-Oxa-7-azaspiro[3.5]nonane oxalate(2:1)

Similarity: 0.84

Chemical Structure| 1408076-14-1

[ 1408076-14-1 ]

1-Oxa-7-azaspiro[3.5]nonane oxalate

Similarity: 0.76

Chemical Structure| 1523606-44-1

[ 1523606-44-1 ]

1-Oxa-6-azaspiro[3.5]nonane hemioxalate

Similarity: 0.73

Chemical Structure| 1427359-47-4

[ 1427359-47-4 ]

5-Oxa-2-azaspiro[3.5]nonane oxalate

Similarity: 0.73

Tetrahydropyrans

Chemical Structure| 1427359-47-4

[ 1427359-47-4 ]

5-Oxa-2-azaspiro[3.5]nonane oxalate

Similarity: 0.73

Chemical Structure| 439081-52-4

[ 439081-52-4 ]

Methyl-(tetrahydropyran-4-ylmethyl)amine

Similarity: 0.69

Chemical Structure| 1417633-09-0

[ 1417633-09-0 ]

7-Oxa-2-azaspiro[3.5]nonane hydrochloride

Similarity: 0.68

Chemical Structure| 130290-79-8

[ 130290-79-8 ]

(Tetrahydro-2H-pyran-4-yl)methanamine

Similarity: 0.61

Chemical Structure| 86423-15-6

[ 86423-15-6 ]

6-Oxa-2-azaspiro[4.5]decane

Similarity: 0.60