CAS RN: 75381-46-3
5-(3-CHLOROPHENYL)-5-OXOVALERIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251126 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS75381-46-3
- Purity/Analytical Methods: >99.0%
75381-46-3 / 5-(3-chlorophenyl)-5-oxopentanoic acid
Basic Information
CAS
75381-46-3
Multi CAS
No
Molecular Formula
C11H11CLO3
Molecular Weight
226.650000
Exact Mass
226.039672
InChI
InChI=1S/C11H11ClO3/c12-9-4-1-3-8(7-9)10(13)5-2-6-11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
InChIKey
HFTNETNQJWKQFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.27
TPSA
54.37
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2
Consensus LogP
2.41
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 75389-89-8
- Product Code: starshine_CAS75389-89-8
- Purity/Analytical method: >99.0%
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6-Oxa-3-azabicyclo[3.1.0]hexane, 3-(phenylMethyl)-
- CAS RN: 75390-09-9
- Product Code: SSC-184837
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![CAS 75390-09-9 6-Oxa-3-azabicyclo[3.1.0]hexane, 3-(phenylMethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/75390-09-9.gif)
