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CAS 848841-57-6 6-fluoro-a,a-diMethyl-3-PyridineMethanol molecular structure lightbox
CAS RN: 848841-57-6

6-fluoro-a,a-diMethyl-3-PyridineMethanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS848841-57-6
  • Purity/Analytical Methods: >99.0%
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848841-57-6 / 2-(6-fluoro-3-pyridinyl)propan-2-ol

Standard CAS: 848841-57-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
848841-57-6
Multi CAS
No
Molecular Formula
C8FH10NO
Molecular Weight
155.170000
Exact Mass
155.074642
InChI
InChI=1S/C8H10FNO/c1-8(2,11)6-3-4-7(9)10-5-6/h3-5,11H,1-2H3
InChIKey
KUADCUGOGQASNR-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
39.44
TPSA
33.12

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
1
Consensus LogP
1.24
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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