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CAS 104205-01-8 (S)-6-FLUORO-1-ISOPROPYL-3,4-DIHYDRO-1H-NAPHTHALEN-2-ONE molecular structure lightbox
CAS RN: 104205-01-8

(S)-6-FLUORO-1-ISOPROPYL-3,4-DIHYDRO-1H-NAPHTHALEN-2-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250824 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-005970
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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: 0.1g, 0.25g, 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 104205-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

104205-01-8 / (1S)-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one

(S)-6-Fluoro-1-isopropyl-3,4-dihydronaphthalen-2(1H)-one | MFCD20257803 | (1S)-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one

Standard CAS: 104205-01-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104205-01-8
Multi CAS
Yes
Molecular Formula
C13H15FO
Molecular Weight
206.260000
Exact Mass
206.110693
SMILES
CC(C)[C@@H]1C(=O)CCC2=C1C=CC(=C2)F
InChI
InChI=1S/C13H15FO/c1-8(2)13-11-5-4-10(14)7-9(11)3-6-12(13)15/h4-5,7-8,13H,3,6H2,1-2H3/t13-/m0/s1
InChIKey
DEGWMPOIXJTKLT-ZDUSSCGKSA-N
Synonyms
(S)-6-Fluoro-1-isopropyl-3,4-dihydronaphthalen-2(1H)-one MFCD20257803 (1S)-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one (S)-6-fluoro-1-isopropyl-3,4-dihydro-1H-naphthalen-2-one C13H15FO

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.31
TPSA
17.07

LogP / Solubility

WLOGP
3.08
MLOGP
2.71
XLogP3
3.1
Consensus LogP
2.96
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-1.79

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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