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CAS 312631-87-1 3-(3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl)thiazolidine-2,4-dione molecular structure lightbox
CAS RN: 312631-87-1

3-(3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl)thiazolidine-2,4-dione

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS312631-87-1
  • Purity/Analytical Methods: >99.0%
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312631-87-1 / 3-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione

Standard CAS: 312631-87-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312631-87-1
Multi CAS
Yes
Molecular Formula
C18H14CL2N2O3S
Molecular Weight
409.300000
Exact Mass
408.010219
InChI
InChI=1S/C18H14Cl2N2O3S/c19-10-1-3-15-13(5-10)14-6-11(20)2-4-16(14)21(15)7-12(23)8-22-17(24)9-26-18(22)25/h1-6,12,23H,7-9H2
InChIKey
SCNHANGMZXFWOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
13
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
105.04
TPSA
62.54

LogP / Solubility

WLOGP
4.16
MLOGP
3.68
XLogP3
3.9
Consensus LogP
3.91
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble

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)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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