CAS RN: 80859-00-3
1-NAPHTHALENECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6-HYDROXY-
- Product code: SSC-189484
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
80859-00-3 / 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Basic Information
CAS
80859-00-3
Multi CAS
No
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
InChI
InChI=1S/C11H12O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h4-6,10,12H,1-3H2,(H,13,14)
InChIKey
HRGTXAMFYKFAPI-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
51.42
TPSA
57.53
LogP / Solubility
WLOGP
1.9
MLOGP
1.67
XLogP3
2
Consensus LogP
1.86
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.55
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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![CAS 80860-44-2 2-(((3aR,4R,6R,6aR)-6-(6-aMino-9H-purin-9-yl)-2,2-diMethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)Methyl)isoindoline-1,3-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/80860-44-2.gif)
