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CAS 53567-96-7 2-NAPHTHALENECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-HYDROXY-, 97%(HPLC) molecular structure lightbox
CAS RN: 53567-96-7

2-NAPHTHALENECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-HYDROXY-, 97%(HPLC)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250815 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINN926440
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53567-96-7 / 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Standard CAS: 53567-96-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53567-96-7
Multi CAS
No
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
InChI
InChI=1S/C11H12O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h3-4,6,9,12H,1-2,5H2,(H,13,14)
InChIKey
RRYULKFLVMRGPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.26
TPSA
57.53

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.8
Consensus LogP
1.59
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

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