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CAS 56048-54-5 2-(2-BENZOTHIAZOLYL)-5-METHYLPHENOL molecular structure lightbox
CAS RN: 56048-54-5

2-(2-BENZOTHIAZOLYL)-5-METHYLPHENOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251127 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS56048-54-5
  • Purity/Analytical Methods: >99.0%
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56048-54-5 / 2-(1,3-benzothiazol-2-yl)-5-methylphenol

Standard CAS: 56048-54-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56048-54-5
Multi CAS
Yes
Molecular Formula
C14H11NOS
Molecular Weight
241.310000
Exact Mass
241.056135
InChI
InChI=1S/C14H11NOS/c1-9-6-7-10(12(16)8-9)14-15-11-4-2-3-5-13(11)17-14/h2-8,16H,1H3
InChIKey
DILRSGGQTSJRST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.46
TPSA
33.12

LogP / Solubility

WLOGP
3.98
MLOGP
3.5
XLogP3
4.3
Consensus LogP
3.93
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37

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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