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CAS 787623-48-7 1-(4-Sulfamylphenyl)-3-trifluoromethyl-5-(7-chloroindol-3-yl)-2-pyrazoline molecular structure lightbox
CAS RN: 787623-48-7

1-(4-Sulfamylphenyl)-3-trifluoromethyl-5-(7-chloroindol-3-yl)-2-pyrazoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS787623-48-7
  • Purity/Analytical Methods: >99.0%
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787623-48-7 / 4-[3-(7-chloro-1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

Standard CAS: 787623-48-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
787623-48-7
Multi CAS
No
Molecular Formula
C18H14CLF3N4O2S
Molecular Weight
442.800000
Exact Mass
442.047809
InChI
InChI=1S/C18H14ClF3N4O2S/c19-14-3-1-2-12-13(9-24-17(12)14)15-8-16(18(20,21)22)25-26(15)10-4-6-11(7-5-10)29(23,27)28/h1-7,9,15,24H,8H2,(H2,23,27,28)
InChIKey
NDGPUMDPTVGJCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
104.45
TPSA
91.55

LogP / Solubility

WLOGP
4.34
MLOGP
3.85
XLogP3
3.8
Consensus LogP
4
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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