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CAS 173996-27-5 6-BROMO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENOL molecular structure lightbox
CAS RN: 173996-27-5

6-BROMO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 250mg / 1g / 5g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS173996-27-5
  • Purity/Analytical Methods: >99.0%
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173996-27-5 / 6-bromo-1,2,3,4-tetrahydronaphthalen-2-ol

Standard CAS: 173996-27-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173996-27-5
Multi CAS
No
Molecular Formula
C10H11BrO
Molecular Weight
227.100000
Exact Mass
225.999330
SMILES
C1CC2=C(CC1O)C=CC(=C2)Br
InChI
InChI=1S/C10H11BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5,10,12H,2,4,6H2
InChIKey
GFAONWSTEKWMAV-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
52.17
TPSA
20.23

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2.6
Consensus LogP
2.31
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
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)
-2.47

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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