CAS RN: 2682097-51-2
(R)-2-Aminonon-8-enoic acid hydrochloride
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.20250418 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2682097-51-2
- Purity/Analytical Methods: >99.0%
2682097-51-2 / 2-aminonon-8-enoic acid;hydrochloride
Basic Information
CAS
2682097-51-2
Multi CAS
No
Molecular Formula
C9H18ClNO2
Molecular Weight
207.700000
Exact Mass
207.102607
SMILES
C=CCCCCCC(C(=O)O)N.Cl
InChI
InChI=1S/C9H17NO2.ClH/c1-2-3-4-5-6-7-8(10)9(11)12;/h2,8H,1,3-7,10H2,(H,11,12);1H
InChIKey
OMKXKHQRAFCRGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.14
TPSA
63.32
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-2.6
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
2
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