CAS RN: 874886-74-5
7-CHLORO-2-OXOHEPTANOIC 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.20260628 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS874886-74-5
- Purity/Analytical Methods: >99.0%
874886-74-5 / 7-chloro-2-oxoheptanoic acid
Basic Information
CAS
874886-74-5
Multi CAS
No
Molecular Formula
C7H11CLO3
Molecular Weight
178.610000
Exact Mass
178.039672
InChI
InChI=1S/C7H11ClO3/c8-5-3-1-2-4-6(9)7(10)11/h1-5H2,(H,10,11)
InChIKey
ZJUYOWJXXHLBOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.83
TPSA
54.37
LogP / Solubility
WLOGP
1.44
MLOGP
1.26
XLogP3
1.3
Consensus LogP
1.33
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.79
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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