CAS RN: 54430-46-5
BZ-NLE-OH
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.20250721 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS54430-46-5
- Purity/Analytical Methods: >99.0%
54430-46-5 / 2-benzamidohexanoic acid
Basic Information
CAS
54430-46-5
Multi CAS
Yes
Molecular Formula
C13H17NO3
Molecular Weight
235.280000
Exact Mass
235.120843
InChI
InChI=1S/C13H17NO3/c1-2-3-9-11(13(16)17)14-12(15)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKey
NIOMUJJKCGJROX-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.86
TPSA
66.4
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
2.6
Consensus LogP
2.16
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.62
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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