Home Cart 0 Sign in  

[ CAS No. 25364-47-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 25364-47-0
Chemical Structure| 25364-47-0
Structure of 25364-47-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 25364-47-0 ]

Related Doc. of [ 25364-47-0 ]

Alternatived Products of [ 25364-47-0 ]

Product Details of [ 25364-47-0 ]

CAS No. :25364-47-0 MDL No. :MFCD13299721
Formula : C15H20N2 Boiling Point : -
Linear Structure Formula :- InChI Key :OWSXDWUAPKBLOI-UHFFFAOYSA-N
M.W : 228.33 Pubchem ID :15879265
Synonyms :

Calculated chemistry of [ 25364-47-0 ]

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.4
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 72.72
TPSA : 17.82 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.91 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.98
Log Po/w (XLOGP3) : 3.92
Log Po/w (WLOGP) : 4.12
Log Po/w (MLOGP) : 2.99
Log Po/w (SILICOS-IT) : 3.52
Consensus Log Po/w : 3.51

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.01
Solubility : 0.0225 mg/ml ; 0.0000986 mol/l
Class : Moderately soluble
Log S (Ali) : -3.99
Solubility : 0.0232 mg/ml ; 0.000102 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.58
Solubility : 0.00601 mg/ml ; 0.0000263 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.01

Safety of [ 25364-47-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 25364-47-0 ]

* 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.

  • Upstream synthesis route of [ 25364-47-0 ]
  • Downstream synthetic route of [ 25364-47-0 ]

[ 25364-47-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 25364-47-0 ]
  • [ 250285-32-6 ]
Reference: [1] Organometallics, 2017, vol. 36, # 10, p. 1981 - 1992
Same Skeleton Products
Historical Records