Home Cart 0 Sign in  

[ CAS No. 64234-61-3 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 64234-61-3
Chemical Structure| 64234-61-3
Structure of 64234-61-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Quality Control of [ 64234-61-3 ]

Related Doc. of [ 64234-61-3 ]

Alternatived Products of [ 64234-61-3 ]

Product Details of [ 64234-61-3 ]

CAS No. :64234-61-3 MDL No. :MFCD24396377
Formula : C6H14ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :UGGBHZGUSDAGRJ-JEDNCBNOSA-N
M.W :167.63 g/mol Pubchem ID :71301825
Synonyms :

Calculated chemistry of [ 64234-61-3 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 42.4
TPSA : 63.32 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.3 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -1.38
Log Po/w (WLOGP) : 1.39
Log Po/w (MLOGP) : 0.75
Log Po/w (SILICOS-IT) : 0.02
Consensus Log Po/w : 0.16

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.25
Solubility : 301.0 mg/ml ; 1.8 mol/l
Class : Highly soluble
Log S (Ali) : 0.55
Solubility : 596.0 mg/ml ; 3.56 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.51
Solubility : 51.9 mg/ml ; 0.31 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.77

Safety of [ 64234-61-3 ]

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:
Historical Records

Related Functional Groups of
[ 64234-61-3 ]

Amino Acid Derivatives

Chemical Structure| 5427-96-3

[ 5427-96-3 ]

3-Aminohexanedioic acid

Similarity: 0.96

Chemical Structure| 58610-42-7

[ 58610-42-7 ]

(R)-3-Aminobutanoic acid hydrochloride

Similarity: 0.92

Chemical Structure| 1948-48-7

[ 1948-48-7 ]

3-Aminopentanedioic acid

Similarity: 0.92

Chemical Structure| 58610-41-6

[ 58610-41-6 ]

(S)-3-Aminobutanoic acid hydrochloride

Similarity: 0.92

Chemical Structure| 22818-43-5

[ 22818-43-5 ]

(S)-3-Amino-5-methylhexanoic acid

Similarity: 0.89