[email protected]
CAS 227751-84-0 tert-butyl 4-(methoxy(methyl)amino)-4-oxobutylcarbamate molecular structure lightbox
CAS RN: 227751-84-0

tert-butyl 4-(methoxy(methyl)amino)-4-oxobutylcarbamate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS227751-84-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

227751-84-0 / tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]carbamate

Standard CAS: 227751-84-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227751-84-0
Multi CAS
No
Molecular Formula
C11H22N2O4
Molecular Weight
246.300000
Exact Mass
246.157957
SMILES
CC(C)(C)OC(=O)NCCCC(=O)N(C)OC
InChI
InChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)12-8-6-7-9(14)13(4)16-5/h6-8H2,1-5H3,(H,12,15)
InChIKey
CRDBABWMOLDZLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.25
TPSA
67.87

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
0.8
Consensus LogP
1.09
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us