CAS RN: 76-90-4
MEPENZOLATE BROMIDE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS76-90-4
- Purity/Analytical Methods: >99.0%
76-90-4 / (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Basic Information
CAS
76-90-4
Multi CAS
Yes
Molecular Formula
BC21H26O3Rn
Molecular Weight
420.300000
Exact Mass
419.109610
InChI
InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1
InChIKey
JRRNZNSGDSFFIR-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
96.84
TPSA
46.53
LogP / Solubility
WLOGP
-0.29
MLOGP
-0.23
XLogP3
-0.29
Consensus LogP
-0.27
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble
ADME
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)
-5.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
Chlortalidone
- CAS RN: 77-36-1
- Product Code: starshine_CAS77-36-1
- Purity/Analytical method: >99.0%
-
-
-
-
-
TOMATIDINE
- CAS RN: 77-59-8
- Product Code: starshine_CAS77-59-8
- Purity/Analytical method: >99.0%
