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CAS 1092349-40-0 8-CHLORO-6-FLUOROCHROMAN-4-ONE molecular structure lightbox
CAS RN: 1092349-40-0

8-CHLORO-6-FLUOROCHROMAN-4-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251107 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-010360
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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 1092349-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1092349-40-0 / 8-chloro-6-fluoro-2,3-dihydrochromen-4-one

8-chloro-6-fluorochroman-4-one | MFCD11518446 | 8-chloro-6-fluoro-chroman-4-one

Standard CAS: 1092349-40-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092349-40-0
Multi CAS
No
Molecular Formula
C9H6ClFO2
Molecular Weight
200.590000
Exact Mass
200.004035
SMILES
C1COC2=C(C1=O)C=C(C=C2Cl)F
InChI
InChI=1S/C9H6ClFO2/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4H,1-2H2
InChIKey
YKWLPVUEPVAMJD-UHFFFAOYSA-N
Synonyms
8-chloro-6-fluorochroman-4-one MFCD11518446 8-chloro-6-fluoro-chroman-4-one AKOS010196031 CS-16624

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
45.85
TPSA
26.3

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.1
Consensus LogP
2.23
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.21

Drug-likeness / Medicinal Chemistry

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

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