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CAS 138330-01-5 4-(4-METHYL-1,3-THIAZOL-2-YL)PHENOL molecular structure lightbox
CAS RN: 138330-01-5

4-(4-METHYL-1,3-THIAZOL-2-YL)PHENOL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS138330-01-5
  • Purity/Analytical Methods: >99.0%
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138330-01-5 / 4-(4-methyl-1,3-thiazol-2-yl)phenol

Standard CAS: 138330-01-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
138330-01-5
Multi CAS
No
Molecular Formula
C10H9NOS
Molecular Weight
191.250000
Exact Mass
191.040485
SMILES
CC1=CSC(=N1)C2=CC=C(C=C2)O
InChI
InChI=1S/C10H9NOS/c1-7-6-13-10(11-7)8-2-4-9(12)5-3-8/h2-6,12H,1H3
InChIKey
KYCMBRIDHHFYQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.95
TPSA
33.12

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.7
Consensus LogP
2.67
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-1.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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