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CAS 360791-49-7 4BP-TQS molecular structure lightbox
CAS RN: 360791-49-7

4BP-TQS

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 5mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS360791-49-7
  • Purity/Analytical Methods: >99.0%
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360791-49-7 / 4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

Standard CAS: 360791-49-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
360791-49-7
Multi CAS
Yes
Molecular Formula
BC18H17O2Rn2S
Molecular Weight
405.300000
Exact Mass
404.019410
InChI
InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)
InChIKey
YNCXHXYZTLIZTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
98.31
TPSA
72.19

LogP / Solubility

WLOGP
3.92
MLOGP
3.48
XLogP3
3.6
Consensus LogP
3.67
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
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
Yes
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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