[email protected]
CAS 51938-17-1 N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID, METHYL ESTER molecular structure lightbox
CAS RN: 51938-17-1

N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID, METHYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS51938-17-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

51938-17-1 / methyl 4-[methyl(nitroso)amino]butanoate

Standard CAS: 51938-17-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51938-17-1
Multi CAS
No
Molecular Formula
C6H12N2O3
Molecular Weight
160.170000
Exact Mass
160.084792
InChI
InChI=1S/C6H12N2O3/c1-8(7-10)5-3-4-6(9)11-2/h3-5H2,1-2H3
InChIKey
YAYDTYCLARRGKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
39.68
TPSA
58.97

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
0.4
Consensus LogP
0.48
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.3

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

Customers Also Viewed

Get In Touch

Contact Us