CAS RN: 61798-00-3
Nonanoic acid,9-amino-9-oxo-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260318 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS61798-00-3
- Purity/Analytical Methods: >99.0%
61798-00-3 / 9-amino-9-oxononanoic acid
Basic Information
CAS
61798-00-3
Multi CAS
Yes
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
InChI
InChI=1S/C9H17NO3/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H2,10,11)(H,12,13)
InChIKey
DJKLLZJDRPGBPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.15
TPSA
80.39
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
0.9
Consensus LogP
1.11
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.95
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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- Product Code: starshine_CAS61799-77-7
- Purity/Analytical method: >99.0%
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