CAS RN: 23740-37-6
2-methoxy-2-cyclohexen-1-one
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251204 | 100mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250716 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250120 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20250628 | 250mg | In stock | Shenzhen, Wuhan | Inquiry | |
| Batchno.20250627 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS23740-37-6
- Purity/Analytical Methods: >99.0%
23740-37-6 / 2-methoxycyclohex-2-en-1-one
Basic Information
CAS
23740-37-6
Multi CAS
No
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
SMILES
COC1=CCCCC1=O
InChI
InChI=1S/C7H10O2/c1-9-7-5-3-2-4-6(7)8/h5H,2-4H2,1H3
InChIKey
KPVZWLCTHWRRNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
33.95
TPSA
26.3
LogP / Solubility
WLOGP
1.27
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-2.59
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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