CAS RN: 52510-53-9
tetranor-PGAM
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.20250412 | 50μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS52510-53-9
- Purity/Analytical Methods: >99.0%
52510-53-9 / 8-[(1S,5R)-5-(2-carboxyethyl)-4-oxocyclopent-2-en-1-yl]-6-oxooctanoic acid
Basic Information
CAS
52510-53-9
Multi CAS
Yes
Molecular Formula
C16H22O6
Molecular Weight
310.340000
Exact Mass
310.141638
InChI
InChI=1S/C16H22O6/c17-12(3-1-2-4-15(19)20)7-5-11-6-9-14(18)13(11)8-10-16(21)22/h6,9,11,13H,1-5,7-8,10H2,(H,19,20)(H,21,22)/t11-,13+/m0/s1
InChIKey
HYPIFMOQVFWSBF-WCQYABFASA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.62
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.34
TPSA
108.74
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
0.4
Consensus LogP
1.53
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly 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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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