CAS RN: 39877-86-6
1-(1-Cyclopentenyl)-2-methoxybenzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250121 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS39877-86-6
- Purity/Analytical Methods: >99.0%
39877-86-6 / 1-(cyclopenten-1-yl)-2-methoxybenzene
Basic Information
CAS
39877-86-6
Multi CAS
Yes
Molecular Formula
C12H14O
Molecular Weight
174.240000
Exact Mass
174.104465
InChI
InChI=1S/C12H14O/c1-13-12-9-5-4-8-11(12)10-6-2-3-7-10/h4-6,8-9H,2-3,7H2,1H3
InChIKey
GQSHKPLOTDWSAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
54.82
TPSA
9.23
LogP / Solubility
WLOGP
3.26
MLOGP
2.87
XLogP3
3.1
Consensus LogP
3.08
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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