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CAS 49844-36-2 ETHYL 6-CHLORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 49844-36-2

ETHYL 6-CHLORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-1-CARBOXYLATE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260306 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS49844-36-2
  • Purity/Analytical Methods: >99.0%
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49844-36-2 / ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate

Standard CAS: 49844-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
49844-36-2
Multi CAS
No
Molecular Formula
C15H16CLNO2
Molecular Weight
277.740000
Exact Mass
277.086956
InChI
InChI=1S/C15H16ClNO2/c1-2-19-15(18)11-5-3-4-10-12-8-9(16)6-7-13(12)17-14(10)11/h6-8,11,17H,2-5H2,1H3
InChIKey
KWLHEFQPHANDGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.62
TPSA
42.09

LogP / Solubility

WLOGP
3.8
MLOGP
3.36
XLogP3
3.8
Consensus LogP
3.65
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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)
-1.71

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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