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CAS 1122410-37-0 6-Trifluoromethyl-chroman-4-one molecular structure lightbox
CAS RN: 1122410-37-0

6-Trifluoromethyl-chroman-4-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-012702
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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 1122410-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1122410-37-0 / 6-(trifluoromethyl)-2,3-dihydrochromen-4-one

6-(Trifluoromethyl)chroman-4-one | MFCD11506685 | 6-(trifluoromethyl)-2,3-dihydrochromen-4-one

Standard CAS: 1122410-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1122410-37-0
Multi CAS
No
Molecular Formula
C10H7F3O2
Molecular Weight
216.160000
Exact Mass
216.039814
SMILES
C1COC2=C(C1=O)C=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)6-1-2-9-7(5-6)8(14)3-4-15-9/h1-2,5H,3-4H2
InChIKey
JHBAJYJJIHZGDP-UHFFFAOYSA-N
Synonyms
6-(Trifluoromethyl)chroman-4-one MFCD11506685 6-(trifluoromethyl)-2,3-dihydrochromen-4-one SCHEMBL86946 SCHEMBL30574501

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
Molar refractivity
45.89
TPSA
26.3

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.3
Consensus LogP
2.44
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.14

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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