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CAS 135383-60-7 (S)-2-phenyl-1-(thiazol-2-yl)ethanaMine hydrochloride molecular structure lightbox
CAS RN: 135383-60-7

(S)-2-phenyl-1-(thiazol-2-yl)ethanaMine hydrochloride

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250902 100mg In stock Shanghai Inquiry
Batchno.20251218 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260513 1g Out of stock Inquiry
Batchno.20251126 250mg In stock Shanghai Inquiry
Batchno.20250212 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS135383-60-7
  • Purity/Analytical Methods: >99.0%
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135383-60-7 / (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine;hydrochloride

Standard CAS: 135383-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135383-60-7
Multi CAS
No
Molecular Formula
C11H13ClN2S
Molecular Weight
240.750000
Exact Mass
240.048797
SMILES
C1=CC=C(C=C1)C[C@@H](C2=NC=CS2)N.Cl
InChI
InChI=1S/C11H12N2S.ClH/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9;/h1-7,10H,8,12H2;1H/t10-;/m0./s1
InChIKey
XQCUEKANDANWHG-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.44
TPSA
38.91

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
2.81
Consensus LogP
2.7
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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