CAS RN: 79503-95-0
1-Mesyloxy-3(Z)-hexene
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.20260701 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS79503-95-0
- Purity/Analytical Methods: >99.0%
79503-95-0 / [(Z)-hex-3-enyl] methanesulfonate
Basic Information
CAS
79503-95-0
Multi CAS
No
Molecular Formula
C7H14O3S
Molecular Weight
178.250000
Exact Mass
178.066365
InChI
InChI=1S/C7H14O3S/c1-3-4-5-6-7-10-11(2,8)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKey
XMLKBXUAOMWHSP-PLNGDYQASA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
44.84
TPSA
43.37
LogP / Solubility
WLOGP
1.32
MLOGP
1.16
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.87
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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