CAS RN: 158849-22-0
(3R)-3-aminoheptanoic 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.20250911 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS158849-22-0
- Purity/Analytical Methods: >99.0%
158849-22-0 / (3R)-3-aminoheptanoic acid
Basic Information
CAS
158849-22-0
Multi CAS
No
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
SMILES
CCCC[C@H](CC(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-2-3-4-6(8)5-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m1/s1
InChIKey
FUENJGFCFZKXBX-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.75
TPSA
63.32
LogP / Solubility
WLOGP
0.98
MLOGP
0.85
XLogP3
-1.6
Consensus LogP
0.08
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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