![CAS 35550-94-8 6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35550-94-8.gif)
CAS RN: 35550-94-8
6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-OL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260101 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS35550-94-8
- Purity/Analytical Methods: >99.0%
35550-94-8 / 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
Basic Information
CAS
35550-94-8
Multi CAS
Yes
Molecular Formula
C11H14O
Molecular Weight
162.230000
Exact Mass
162.104465
InChI
InChI=1S/C11H14O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11-12H,2,4,6,8H2
InChIKey
ZBNIQZCMPPVSKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.96
TPSA
20.23
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
2.4
Consensus LogP
2.33
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-1.97
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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