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CAS 4079-26-9 PD 146176 molecular structure lightbox
CAS RN: 4079-26-9

PD 146176

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260529 100mg In stock Shanghai Inquiry
Batchno.20250405 10mg In stock Shanghai Inquiry
Batchno.20250520 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250603 250mg Out of stock Inquiry
Batchno.20251004 25mg In stock Shanghai Inquiry
Batchno.20260107 50mg In stock Shanghai Inquiry
Batchno.20250228 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS4079-26-9
  • Purity/Analytical Methods: >99.0%
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4079-26-9 / 6,11-dihydrothiochromeno[4,3-b]indole

Standard CAS: 4079-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4079-26-9
Multi CAS
No
Molecular Formula
C15H11NS
Molecular Weight
237.320000
Exact Mass
237.061221
InChI
InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2
InChIKey
ZGOOPZVQMLHPFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.3
TPSA
15.79

LogP / Solubility

WLOGP
4.44
MLOGP
3.91
XLogP3
3.8
Consensus LogP
4.05
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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)
-1.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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