CAS RN: 57262-94-9
Setiptiline
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS57262-94-9
- Purity/Analytical Methods: >99.0%
57262-94-9 / 4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene
Basic Information
CAS
57262-94-9
Multi CAS
No
Molecular Formula
C19H19N
Molecular Weight
261.400000
Exact Mass
261.151750
InChI
InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
InChIKey
GVPIXRLYKVFFMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.26
H-bond acceptors
1
Molar refractivity
84.62
TPSA
3.24
LogP / Solubility
WLOGP
3.84
MLOGP
3.38
XLogP3
3.3
Consensus LogP
3.51
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
CALMIDAZOLIUM CHLORIDE
- CAS RN: 57265-65-3
- Product Code: starshine_CAS57265-65-3
- Purity/Analytical method: >99.0%
-
cis-2-Amino-1-cyclohexanecarboxylicacidhydrochloride
- CAS RN: 57266-55-4
- Product Code: SSC-165355
-
cis-6-Amino-3-cyclohexene-1-carboxylic acid hydrochloride
- CAS RN: 57266-56-5
- Product Code: SSC-165356
-
-
