CAS RN: 27053-24-3
(2-AMINO-THIAZOL-5-YL)-(4-CHLORO-PHENYL)-METHANONE
- Product code: SSC-125730
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
27053-24-3 / (2-amino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone
Basic Information
CAS
27053-24-3
Multi CAS
No
Molecular Formula
C10H7ClN2OS
Molecular Weight
238.690000
Exact Mass
237.996762
SMILES
C1=CC(=CC=C1C(=O)C2=CN=C(S2)N)Cl
InChI
InChI=1S/C10H7ClN2OS/c11-7-3-1-6(2-4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13)
InChIKey
PAPPZGMHHGOQNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.41
TPSA
55.98
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
2.9
Consensus LogP
2.6
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.32
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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