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CAS 1184159-02-1 8-CHLORO-6-FLUORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE molecular structure lightbox
CAS RN: 1184159-02-1

8-CHLORO-6-FLUORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-018172
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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 1184159-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1184159-02-1 / 8-chloro-6-fluoro-3,4-dihydro-2H-chromen-4-amine

8-chloro-6-fluorochroman-4-amine | MFCD12813751 | 8-chloro-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine

Standard CAS: 1184159-02-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1184159-02-1
Multi CAS
No
Molecular Formula
C9H9ClFNO
Molecular Weight
201.620000
Exact Mass
201.035670
SMILES
C1COC2=C(C1N)C=C(C=C2Cl)F
InChI
InChI=1S/C9H9ClFNO/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4,8H,1-2,12H2
InChIKey
YXTFAAHHOXCWKE-UHFFFAOYSA-N
Synonyms
8-chloro-6-fluorochroman-4-amine MFCD12813751 8-chloro-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine 8-chloro-6-fluoro-chroman-4-amine BS-45466

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
48.45
TPSA
35.25

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
1.6
Consensus LogP
1.95
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.34

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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