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CAS 79085-71-5 Quinoline, 5-broMo-6-fluoro-1,2,3,4-tetrahydro-2-Methyl- molecular structure lightbox
CAS RN: 79085-71-5

Quinoline, 5-broMo-6-fluoro-1,2,3,4-tetrahydro-2-Methyl-

  • Product code: SSC-188317
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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 79085-71-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

79085-71-5 / 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

Standard CAS: 79085-71-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79085-71-5
Multi CAS
No
Molecular Formula
BC10H11NRf
Molecular Weight
244.100000
Exact Mass
243.005890
InChI
InChI=1S/C10H11BrFN/c1-6-2-3-7-9(13-6)5-4-8(12)10(7)11/h4-6,13H,2-3H2,1H3
InChIKey
XHAXMUHHFPDPDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.51
TPSA
12.03

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
3.5
Consensus LogP
3.26
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

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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