![CAS 313553-47-8 N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]benzamidehydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/313553-47-8.gif)
CAS RN: 313553-47-8
N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]benzamidehydrochloride
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS313553-47-8
- Purity/Analytical Methods: >99.0%
313553-47-8 / N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
Basic Information
CAS
313553-47-8
Multi CAS
Yes
Molecular Formula
C18H16N2OS
Molecular Weight
308.400000
Exact Mass
308.098334
InChI
InChI=1S/C18H16N2OS/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKey
JPMOKRWIYQGMJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.42
TPSA
41.99
LogP / Solubility
WLOGP
4.68
MLOGP
4.13
XLogP3
4.5
Consensus LogP
4.44
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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