CAS RN: 66313-10-8
2-METHOXY-PENT-4-YNOIC ACID ETHYL ESTER
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.20250924 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS66313-10-8
- Purity/Analytical Methods: >99.0%
66313-10-8 / ethyl 2-methoxypent-4-ynoate
Basic Information
CAS
66313-10-8
Multi CAS
No
Molecular Formula
C8H12O3
Molecular Weight
156.180000
Exact Mass
156.078644
InChI
InChI=1S/C8H12O3/c1-4-6-7(10-3)8(9)11-5-2/h1,7H,5-6H2,2-3H3
InChIKey
JCYNMUQAMQTJCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
40.88
TPSA
35.53
LogP / Solubility
WLOGP
0.59
MLOGP
0.51
XLogP3
1
Consensus LogP
0.7
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.26
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
2
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