[email protected]
CAS 85072-31-7 6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-OL molecular structure lightbox
CAS RN: 85072-31-7

6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-OL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250613 100mg Out of stock Inquiry
  • Product code: starshine_CAS85072-31-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

85072-31-7 / 6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol

Standard CAS: 85072-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85072-31-7
Multi CAS
No
Molecular Formula
C10FH11O
Molecular Weight
166.190000
Exact Mass
166.079393
InChI
InChI=1S/C10H11FO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5,10,12H,2,4,6H2
InChIKey
IMBGKSOCINJFCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.43
TPSA
20.23

LogP / Solubility

WLOGP
1.68
MLOGP
1.47
XLogP3
2.1
Consensus LogP
1.75
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us