CAS RN: 1140737-02-5
(S)-2-Aminooct-7-enoic 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.20251102 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1140737-02-5
- Purity/Analytical Methods: >99.0%
1140737-02-5 / (2S)-2-aminooct-7-enoic acid
2-amino-7-octenoic acid | 7-Octenoic acid, 2-amino- | 2-AMINOOCT-7-ENOIC ACID
Basic Information
CAS
1140737-02-5
Multi CAS
Yes
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
C=CCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11)/t7-/m0/s1
InChIKey
VXVRWMRIUKRFMP-ZETCQYMHSA-N
Synonyms
2-amino-7-octenoic acid
7-Octenoic acid, 2-amino-
2-AMINOOCT-7-ENOIC ACID
MFCD01941261
2-amino-7-octenoicacid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.28
TPSA
63.32
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
-1
Consensus LogP
0.38
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.35
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)
-2.87
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
2
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