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CAS 1193383-09-3 1-(6-chloro-5-trifluoromethoxy-1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid molecular structure lightbox
CAS RN: 1193383-09-3

1-(6-chloro-5-trifluoromethoxy-1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid

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6 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250206 10mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250930 100mg Out of stock Inquiry
Batchno.20250208 1mg In stock Shanghai Inquiry
Batchno.20251202 250mg Out of stock Inquiry
Batchno.20250715 50mg Out of stock Inquiry
Batchno.20250804 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1193383-09-3
  • Purity/Analytical Methods: >99.0%
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1193383-09-3 / 1-[6-chloro-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid

JNJ-42041935 | JNJ 42041935 | T4PPL01131

Standard CAS: 1193383-09-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1193383-09-3
Multi CAS
No
Molecular Formula
C12H6ClF3N4O3
Molecular Weight
346.650000
Exact Mass
346.008052
SMILES
C1=C2C(=CC(=C1Cl)OC(F)(F)F)N=C(N2)N3C=C(C=N3)C(=O)O
InChI
InChI=1S/C12H6ClF3N4O3/c13-6-1-7-8(2-9(6)23-12(14,15)16)19-11(18-7)20-4-5(3-17-20)10(21)22/h1-4H,(H,18,19)(H,21,22)
InChIKey
FXHHASJVTYRJHH-UHFFFAOYSA-N
Synonyms
JNJ-42041935 JNJ 42041935 T4PPL01131 1H-Pyrazole-4-carboxylic acid, 1-[6-chloro-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]- 1H-Pyrazole-4-carboxylic acid, 1-(6-chloro-5-(trifluoromethoxy)-1H-benzimidazol-2-yl)-

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
14
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
71.87
TPSA
93.03

LogP / Solubility

WLOGP
3
MLOGP
2.66
XLogP3
3.1
Consensus LogP
2.92
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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