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CAS 1092349-68-2 6-CHLORO-7-(TRIFLUOROMETHYL)CHROMAN-4-ONE molecular structure lightbox
CAS RN: 1092349-68-2

6-CHLORO-7-(TRIFLUOROMETHYL)CHROMAN-4-ONE

  • Product code: SSC-010366
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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 1092349-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1092349-68-2 / 6-chloro-7-(trifluoromethyl)-2,3-dihydrochromen-4-one

6-Chloro-7-(trifluoromethyl)chroman-4-one | MFCD11518461 | AKOS025395758

Standard CAS: 1092349-68-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092349-68-2
Multi CAS
No
Molecular Formula
C10H6ClF3O2
Molecular Weight
250.600000
Exact Mass
250.000842
SMILES
C1COC2=CC(=C(C=C2C1=O)Cl)C(F)(F)F
InChI
InChI=1S/C10H6ClF3O2/c11-7-3-5-8(15)1-2-16-9(5)4-6(7)10(12,13)14/h3-4H,1-2H2
InChIKey
SYHAQQDWZVPWOD-UHFFFAOYSA-N
Synonyms
6-Chloro-7-(trifluoromethyl)chroman-4-one MFCD11518461 AKOS025395758 SY375776 N10581

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
Molar refractivity
50.9
TPSA
26.3

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
2.9
Consensus LogP
3.05
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.05
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)
-1.89

Drug-likeness / Medicinal Chemistry

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

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