CAS RN: 6828-42-8
4,4-BIS(N,N-DIBUTYRIC 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.20260304 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS6828-42-8
- Purity/Analytical Methods: >99.0%
6828-42-8 / 4-(3-carboxypropylamino)butanoic acid
Basic Information
CAS
6828-42-8
Multi CAS
Yes
Molecular Formula
C8H15NO4
Molecular Weight
189.210000
Exact Mass
189.100108
InChI
InChI=1S/C8H15NO4/c10-7(11)3-1-5-9-6-2-4-8(12)13/h9H,1-6H2,(H,10,11)(H,12,13)
InChIKey
HBUXNNBOWNIKNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
46.61
TPSA
86.63
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
XLogP3
-2.8
Consensus LogP
-0.74
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
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
1.5
