CAS RN: 139163-63-6
(S)-1-(6-bromopyridin-3-yl)ethan-1-ol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251111 | 500mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS139163-63-6
- Purity/Analytical Methods: >99.0%
139163-63-6 / (1S)-1-(6-bromo-3-pyridinyl)ethanol
Basic Information
CAS
139163-63-6
Multi CAS
No
Molecular Formula
C7H8BrNO
Molecular Weight
202.050000
Exact Mass
200.978930
SMILES
C[C@@H](C1=CN=C(C=C1)Br)O
InChI
InChI=1S/C7H8BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-5,10H,1H3/t5-/m0/s1
InChIKey
QDOJZKXYIAXLDB-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.57
TPSA
33.12
LogP / Solubility
WLOGP
1.9
MLOGP
1.67
XLogP3
1.4
Consensus LogP
1.66
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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