[email protected]
CAS 2893-49-4 NSC45488 molecular structure lightbox
CAS RN: 2893-49-4

NSC45488

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250710 1g In stock Inquiry
Batchno.20250410 250mg In stock Inquiry
Batchno.20251003 50mg In stock Inquiry
  • Product code: starshine_CAS2893-49-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2893-49-4 / 2-[methyl(propan-2-yl)amino]ethanol

Standard CAS: 2893-49-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2893-49-4
Multi CAS
Yes
Molecular Formula
C6H15NO
Molecular Weight
117.190000
Exact Mass
117.115364
InChI
InChI=1S/C6H15NO/c1-6(2)7(3)4-5-8/h6,8H,4-5H2,1-3H3
InChIKey
OFRNAQFDQREXMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.85
TPSA
23.47

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
XLogP3
0.4
Consensus LogP
0.33
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
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)
-3.21

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us