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CAS 1247879-12-4 2-chloro-6,7-dihydro-5H-thiazolo[4,5-f]indole molecular structure lightbox
CAS RN: 1247879-12-4

2-chloro-6,7-dihydro-5H-thiazolo[4,5-f]indole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1247879-12-4
  • Purity/Analytical Methods: >99.0%
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1247879-12-4 / 2-chloro-6,7-dihydro-5H-pyrrolo[3,2-f][1,3]benzothiazole

Standard CAS: 1247879-12-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247879-12-4
Multi CAS
No
Molecular Formula
C9H7ClN2S
Molecular Weight
210.680000
Exact Mass
210.001847
SMILES
C1CNC2=CC3=C(C=C21)N=C(S3)Cl
InChI
InChI=1S/C9H7ClN2S/c10-9-12-7-3-5-1-2-11-6(5)4-8(7)13-9/h3-4,11H,1-2H2
InChIKey
DMVVVAJEESWKDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.82
TPSA
24.92

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
3.4
Consensus LogP
2.96
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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