![CAS 16144-91-5 3,6-Dihydroxybenzonorbornane [Antioxidant] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d1806-jpgcontextbwfzdgvyfhjvb3r8nda3njd8aw1hz2uvanblz3xoyzuvaguzlzg5mjk5ntiymdi3odivrde4mdyuanbnfdiwzdi4njk3ytvimtc5mtyxodq3mjnkywvhn2uwyza3mzzlzte3ntlhyjliywzin2m3otg3mzfhzwzlnmriyji.jpeg)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
16144-91-5 / tricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol
Basic Information
CAS
16144-91-5
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
SMILES
C1CC2CC1C3=C(C=CC(=C23)O)O
InChI
InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2
InChIKey
JYHNNCBQCSLFQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.1
TPSA
40.46
LogP / Solubility
WLOGP
2.46
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.05
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
4.5
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