CAS RN: 1240594-87-9
2-(3-BroMo-pyridin-2-yl)-propan-2-ol
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.20251123 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1240594-87-9
- Purity/Analytical Methods: >99.0%
1240594-87-9 / 2-(3-bromo-2-pyridinyl)propan-2-ol
Basic Information
CAS
1240594-87-9
Multi CAS
No
Molecular Formula
C8H10BrNO
Molecular Weight
216.070000
Exact Mass
214.994580
SMILES
CC(C)(C1=C(C=CC=N1)Br)O
InChI
InChI=1S/C8H10BrNO/c1-8(2,11)7-6(9)4-3-5-10-7/h3-5,11H,1-2H3
InChIKey
HZHDZKFWDCOLAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.18
TPSA
33.12
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.3
Consensus LogP
1.73
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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