CAS RN: 937013-40-6
4-chloro-1-methoxy-2-vinylbenzene
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.20250101 | 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS937013-40-6
- Purity/Analytical Methods: >99.0%
937013-40-6 / 1-chloro-2-ethenyl-4-methoxybenzene
Basic Information
CAS
937013-40-6
Multi CAS
No
Molecular Formula
C9H9CLO
Molecular Weight
168.620000
Exact Mass
168.034193
InChI
InChI=1S/C9H9ClO/c1-3-7-6-8(11-2)4-5-9(7)10/h3-6H,1H2,2H3
InChIKey
LGGTWIHHDIQHPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
48.1
TPSA
9.23
LogP / Solubility
WLOGP
2.99
MLOGP
2.63
XLogP3
3.3
Consensus LogP
2.97
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-1.62
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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