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: 500g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 500g | >97% | 0 Out of Stock | Shanghai | Inquiry |
763-32-6 / 3-methylbut-3-en-1-ol
Basic Information
CAS
763-32-6
Multi CAS
No
Molecular Formula
C5H10O
Molecular Weight
86.130000
Exact Mass
86.073165
InChI
InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
InChIKey
CPJRRXSHAYUTGL-UHFFFAOYSA-N
Physical Properties
Boiling Point
130.00 °C. @ 760.00 mm Hg
Physical Description
Liquid
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.52
TPSA
20.23
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
1.3
Consensus LogP
1.02
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.24
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
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2-Methyl-3-buten-2-ol
- CAS RN: 115-18-4
- Product Code: ICTM0178
- Purity/Analytical method: >97.0%(GC)
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