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CAS 1050507-07-7 (4-(2-chlorophenyl)thiazol-2-yl)Methanol molecular structure lightbox
CAS RN: 1050507-07-7

(4-(2-chlorophenyl)thiazol-2-yl)Methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1050507-07-7
  • Purity/Analytical Methods: >99.0%
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1050507-07-7 / [4-(2-chlorophenyl)-1,3-thiazol-2-yl]methanol

(4-(2-CHLOROPHENYL)THIAZOL-2-YL)METHANOL | [4-(2-chlorophenyl)-1,3-thiazol-2-yl]methanol | MFCD17251190

Standard CAS: 1050507-07-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1050507-07-7
Multi CAS
No
Molecular Formula
C10H8ClNOS
Molecular Weight
225.700000
Exact Mass
225.001513
SMILES
C1=CC=C(C(=C1)C2=CSC(=N2)CO)Cl
InChI
InChI=1S/C10H8ClNOS/c11-8-4-2-1-3-7(8)9-6-14-10(5-13)12-9/h1-4,6,13H,5H2
InChIKey
DSZUFWOIRRSXHP-UHFFFAOYSA-N
Synonyms
(4-(2-CHLOROPHENYL)THIAZOL-2-YL)METHANOL [4-(2-chlorophenyl)-1,3-thiazol-2-yl]methanol MFCD17251190 4-(2-chlorophenyl)-2-Thiazolemethanol 2-Thiazolemethanol,4-(2-chlorophenyl)-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.48
TPSA
33.12

LogP / Solubility

WLOGP
2.96
MLOGP
2.6
XLogP3
2.4
Consensus LogP
2.65
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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

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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