CAS RN: 13071-11-9
(R)-(+)-PROPRANOLOL
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS13071-11-9
- Purity/Analytical Methods: >99.0%
13071-11-9 / (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
Basic Information
CAS
13071-11-9
Multi CAS
No
Molecular Formula
C16H22ClNO2
Molecular Weight
295.800000
Exact Mass
295.133907
SMILES
CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O.Cl
InChI
InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/t14-;/m1./s1
InChIKey
ZMRUPTIKESYGQW-PFEQFJNWSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.84
TPSA
41.49
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble
ADME
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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
Customers Also Viewed
-
-
1,2-O-DIOCTADECYL-RAC-GLYCEROL
- CAS RN: 13071-61-9
- Product Code: starshine_CAS13071-61-9
- Purity/Analytical method: >99.0%
-
-
-
-
