CAS RN: 38252-74-3
4-(N-Butyl-N-nitrosamino)butyric Acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251208 | 200mg | In stock | Shanghai | Inquiry |
- Product code: ICTB3185
- Purity/Analytical Methods: >98.0%(T)
38252-74-3 / 4-[butyl(nitroso)amino]butanoic acid
Basic Information
CAS
38252-74-3
Multi CAS
No
Molecular Formula
C8H16N2O3
Molecular Weight
188.220000
Exact Mass
188.116092
InChI
InChI=1S/C8H16N2O3/c1-2-3-6-10(9-13)7-4-5-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
OAAQPYUFAOHUMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.15
TPSA
69.97
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.2
Consensus LogP
1.42
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.71
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
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