CAS RN: 67-92-5
DICYCLOMINE HYDROCHLORIDE
Product Availability
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3 package records2 with current stock3 grade groups
- Product code: starshine_CAS67-92-5
- Purity/Analytical Methods: >99.0%
67-92-5 / 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride
Basic Information
CAS
67-92-5
Multi CAS
Yes
Molecular Formula
C19H36CLNO2
Molecular Weight
345.900000
Exact Mass
345.243457
InChI
InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H
InChIKey
GUBNMFJOJGDCEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.95
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
98.09
TPSA
29.54
LogP / Solubility
WLOGP
4.82
MLOGP
4.26
XLogP3
4.82
Consensus LogP
4.63
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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