CAS RN: 57079-14-8
(Z)-6-(3-Carboxyacrylamido)hexanoic acid
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.20250306 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57079-14-8
- Purity/Analytical Methods: >99.0%
57079-14-8 / 6-(3-carboxyprop-2-enoylamino)hexanoic acid
Basic Information
CAS
57079-14-8
Multi CAS
Yes
Molecular Formula
C10H15NO5
Molecular Weight
229.230000
Exact Mass
229.095023
InChI
InChI=1S/C10H15NO5/c12-8(5-6-10(15)16)11-7-3-1-2-4-9(13)14/h5-6H,1-4,7H2,(H,11,12)(H,13,14)(H,15,16)/b6-5-
InChIKey
OHQFLBMAHZJOJA-WAYWQWQTSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
55.89
TPSA
103.7
LogP / Solubility
WLOGP
0.39
MLOGP
0.35
XLogP3
-0.1
Consensus LogP
0.21
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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