CAS RN: 63701-56-4
S(-)-BACLOFEN HCL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250802 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS63701-56-4
- Purity/Analytical Methods: >99.0%
63701-56-4 / (3S)-4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
Basic Information
CAS
63701-56-4
Multi CAS
Yes
Molecular Formula
C10H13CL2NO2
Molecular Weight
250.120000
Exact Mass
249.032334
InChI
InChI=1S/C10H12ClNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H/t8-;/m1./s1
InChIKey
WMNUVYYLMCMHLU-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.75
TPSA
63.32
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.28
Consensus LogP
2.19
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 63704-54-1 2H-Cyclopenta[b]pyridin-2-one,4-amino-1,5,6,7-tetrahydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63704-54-1.gif)
