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 | Shanghai | Inquiry |
497-02-9 / 2-methylbut-2-en-1-ol
Basic Information
CAS
497-02-9
Multi CAS
Yes
Molecular Formula
C5H10O
Molecular Weight
86.130000
Exact Mass
86.073165
InChI
InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3
InChIKey
NEJDKFPXHQRVMV-UHFFFAOYSA-N
Physical Properties
Density
0.863-0.869
Physical Description
Colourless liquid; Green oily aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.52
TPSA
20.23
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
1
Consensus LogP
0.92
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
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)
-2.57
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
1.5
Customers Also Viewed
-
-
-
-
3,3 DIMETHYL CIS 1,2 CYCLOPROPANE DICARBOXYLIC ACID
- CAS RN: 497-42-7
- Product Code: starshine_CAS497-42-7
- Purity/Analytical method: >99.0%
-
-
