CAS RN: 69308-37-8
(R)-Baclofen
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock3 grade groups
- Product code: ICTB5102
- Purity/Analytical Methods: >95.0%(T)(HPLC)
69308-37-8 / 4-amino-3-(4-chlorophenyl)butanoic acid
Basic Information
CAS
69308-37-8
Multi CAS
Yes
Molecular Formula
C10H12CLNO2
Molecular Weight
213.660000
Exact Mass
213.055656
InChI
InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
InChIKey
KPYSYYIEGFHWSV-UHFFFAOYSA-N
Physical Properties
Melting Point
372 to 376 °F (NTP, 1992)
206 - 208 °C
Physical Description
Baclofen appears as odorless or practically odorless white to off-white crystalline powder. (NTP, 1992)
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.5
TPSA
63.32
LogP / Solubility
WLOGP
1.86
MLOGP
1.64
XLogP3
-1
Consensus LogP
0.83
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
Decamethonium Bromide
- CAS RN: 541-22-0
- Product Code: ICTD1314
- Purity/Analytical method: >98.0%(T)
-
-
-
-
-
