CAS RN: 1509899-61-9
(R)-1-(7-Bromoquinolin-2-yl)ethanol
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.20251201 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1509899-61-9
- Purity/Analytical Methods: >99.0%
1509899-61-9 / (1R)-1-(7-bromoquinolin-2-yl)ethanol
Basic Information
CAS
1509899-61-9
Multi CAS
No
Molecular Formula
C11H10BrNO
Molecular Weight
252.110000
Exact Mass
250.994580
SMILES
C[C@H](C1=NC2=C(C=CC(=C2)Br)C=C1)O
InChI
InChI=1S/C11H10BrNO/c1-7(14)10-5-3-8-2-4-9(12)6-11(8)13-10/h2-7,14H,1H3/t7-/m1/s1
InChIKey
HHHCUXIBSUVETB-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.08
TPSA
33.12
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
2.4
Consensus LogP
2.71
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
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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