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CAS 1188025-81-1 (4-Fluorobenzo[d]thiazol-2-yl)Methanol molecular structure lightbox
CAS RN: 1188025-81-1

(4-Fluorobenzo[d]thiazol-2-yl)Methanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1188025-81-1
  • Purity/Analytical Methods: >99.0%
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1188025-81-1 / (4-fluoro-1,3-benzothiazol-2-yl)methanol

(4-Fluorobenzo[d]thiazol-2-yl)methanol | (4-fluoro-1,3-benzothiazol-2-yl)methanol | MFCD17182067

Standard CAS: 1188025-81-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188025-81-1
Multi CAS
Yes
Molecular Formula
C8H6FNOS
Molecular Weight
183.200000
Exact Mass
183.015413
SMILES
C1=CC(=C2C(=C1)SC(=N2)CO)F
InChI
InChI=1S/C8H6FNOS/c9-5-2-1-3-6-8(5)10-7(4-11)12-6/h1-3,11H,4H2
InChIKey
UWGRSEZYXONOBJ-UHFFFAOYSA-N
Synonyms
(4-Fluorobenzo[d]thiazol-2-yl)methanol (4-fluoro-1,3-benzothiazol-2-yl)methanol MFCD17182067 SCHEMBL28478793 DTXSID00856443

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.5
TPSA
33.12

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
1.6
Consensus LogP
1.74
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

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

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