CAS RN: 955369-59-2
2-PYRIDINEETHANOL, 6-BROMO-A,A-DIMETHYL-
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.20250818 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS955369-59-2
- Purity/Analytical Methods: >99.0%
955369-59-2 / 1-(6-bromo-2-pyridinyl)-2-methylpropan-2-ol
Basic Information
CAS
955369-59-2
Multi CAS
No
Molecular Formula
BC9H12ORn
Molecular Weight
230.100000
Exact Mass
229.010230
InChI
InChI=1S/C9H12BrNO/c1-9(2,12)6-7-4-3-5-8(10)11-7/h3-5,12H,6H2,1-2H3
InChIKey
SLUXYSRNGUAGSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.94
TPSA
33.12
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-2.59
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
1.5
Customers Also Viewed
-
(6-BroMopyridin-2-yl)acetic acid ethyl ester
- CAS RN: 955369-63-8
- Product Code: SSC-210980
-
-
-
N-(1-naphthalen-1-yl-ethyl)-3-(3-trifluoroMethyl-phenyl)-propionaMide
- CAS RN: 955371-05-8
- Product Code: starshine_CAS955371-05-8
- Purity/Analytical method: >99.0%
-
VK-II-36
- CAS RN: 955371-66-1
- Product Code: starshine_CAS955371-66-1
- Purity/Analytical method: >99.0%
-
