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CAS 392246-66-1 Benzamide, 3,4-dimethyl-N-[4-(2-thienyl)-2-thiazolyl]- molecular structure lightbox
CAS RN: 392246-66-1

Benzamide, 3,4-dimethyl-N-[4-(2-thienyl)-2-thiazolyl]-

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Batchno.20250204 1ml In stock Inquiry
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  • Product code: starshine_CAS392246-66-1
  • Purity/Analytical Methods: >99.0%
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392246-66-1 / 3,4-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

Standard CAS: 392246-66-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
392246-66-1
Multi CAS
No
Molecular Formula
C16H14N2OS2
Molecular Weight
314.400000
Exact Mass
314.054755
InChI
InChI=1S/C16H14N2OS2/c1-10-5-6-12(8-11(10)2)15(19)18-16-17-13(9-21-16)14-4-3-7-20-14/h3-9H,1-2H3,(H,17,18,19)
InChIKey
OUIPGPMOOATOQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.3
TPSA
41.99

LogP / Solubility

WLOGP
4.74
MLOGP
4.19
XLogP3
4.2
Consensus LogP
4.38
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
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)
-1.27

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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