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CAS 177858-77-4 6-Fluoro-2,3,4,5-tetrahydro-1H-pyrido-[4,3-b]indole hydrochloride molecular structure lightbox
CAS RN: 177858-77-4

6-Fluoro-2,3,4,5-tetrahydro-1H-pyrido-[4,3-b]indole hydrochloride

  • Product code: SSC-077741
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 177858-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

177858-77-4 / 6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Standard CAS: 177858-77-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
177858-77-4
Multi CAS
No
Molecular Formula
C11H11FN2
Molecular Weight
190.220000
Exact Mass
190.090627
SMILES
C1CNCC2=C1NC3=C2C=CC=C3F
InChI
InChI=1S/C11H11FN2/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,13-14H,4-6H2
InChIKey
WFOAZAKVBMIMKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.27
H-bond acceptors
1
H-bond donors
2
Molar refractivity
53.67
TPSA
27.82

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.6
Consensus LogP
1.76
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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