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CAS 886762-87-4 5,7-difluorochroman-4-amine molecular structure lightbox
CAS RN: 886762-87-4

5,7-difluorochroman-4-amine

  • Product code: SSC-200133
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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: ＞97%
  • 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 886762-87-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

886762-87-4 / 5,7-difluoro-3,4-dihydro-2H-chromen-4-amine

Standard CAS: 886762-87-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886762-87-4
Multi CAS
No
Molecular Formula
C9F2H9NO
Molecular Weight
185.170000
Exact Mass
185.065220
InChI
InChI=1S/C9H9F2NO/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7H,1-2,12H2
InChIKey
ZJGYMNXLPZADME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.4
TPSA
35.25

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately 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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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