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CAS 1479107-10-2 4H-1-Benzopyran-4-one, 6-fluoro-3-(3-fluorophenyl)-2-[(1R)-1-hydroxyethyl]- molecular structure lightbox
CAS RN: 1479107-10-2

4H-1-Benzopyran-4-one, 6-fluoro-3-(3-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-058392
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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 1479107-10-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1479107-10-2 / 6-fluoro-3-(3-fluorophenyl)-2-[(1R)-1-hydroxyethyl]chromen-4-one

Standard CAS: 1479107-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1479107-10-2
Multi CAS
No
Molecular Formula
C17H12F2O3
Molecular Weight
302.270000
Exact Mass
302.075451
SMILES
C[C@H](C1=C(C(=O)C2=C(O1)C=CC(=C2)F)C3=CC(=CC=C3)F)O
InChI
InChI=1S/C17H12F2O3/c1-9(20)17-15(10-3-2-4-11(18)7-10)16(21)13-8-12(19)5-6-14(13)22-17/h2-9,20H,1H3/t9-/m1/s1
InChIKey
KVWIGTRVURMRQS-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.47
TPSA
50.44

LogP / Solubility

WLOGP
3.79
MLOGP
3.35
XLogP3
2.9
Consensus LogP
3.35
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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