CAS RN: 3036-66-6
1-METHOXY-1,3-BUTADIENE
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.20260305 | 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3036-66-6
- Purity/Analytical Methods: >99.0%
3036-66-6 / 1-methoxybuta-1,3-diene
Basic Information
CAS
3036-66-6
Multi CAS
Yes
Molecular Formula
C5H8O
Molecular Weight
84.120000
Exact Mass
84.057515
InChI
InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4+
InChIKey
KOCUMXQOUWPSLK-SNAWJCMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
26.35
TPSA
9.23
LogP / Solubility
WLOGP
1.33
MLOGP
1.16
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-2.29
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
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