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CAS 37827-83-1 2-Naphthalenecarbonyl fluoride (9CI) molecular structure lightbox
CAS RN: 37827-83-1

2-Naphthalenecarbonyl fluoride (9CI)

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260401 10g Out of stock Inquiry
Batchno.20260507 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250401 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260301 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS37827-83-1
  • Purity/Analytical Methods: >99.0%
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37827-83-1 / naphthalene-2-carbonyl fluoride

Standard CAS: 37827-83-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37827-83-1
Multi CAS
No
Molecular Formula
C11FH7O
Molecular Weight
174.170000
Exact Mass
174.048093
InChI
InChI=1S/C11H7FO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
YDNZYORUANJTLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.39
TPSA
17.07

LogP / Solubility

WLOGP
2.95
MLOGP
2.59
XLogP3
3.7
Consensus LogP
3.08
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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