CAS RN: 5107-12-0
N-(4-nitrobenzoyl)-6-aminocaproic 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.20250605 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5107-12-0
- Purity/Analytical Methods: >99.0%
5107-12-0 / 6-[(4-nitrobenzoyl)amino]hexanoic acid
Basic Information
CAS
5107-12-0
Multi CAS
Yes
Molecular Formula
C13H16N2O5
Molecular Weight
280.280000
Exact Mass
280.105922
InChI
InChI=1S/C13H16N2O5/c16-12(17)4-2-1-3-9-14-13(18)10-5-7-11(8-6-10)15(19)20/h5-8H,1-4,9H2,(H,14,18)(H,16,17)
InChIKey
QJUKPUCOWZIKDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.53
TPSA
109.54
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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