[email protected]
CAS 44976-83-2 DIISOPROPYLAMINO-ACETIC ACID molecular structure lightbox
CAS RN: 44976-83-2

DIISOPROPYLAMINO-ACETIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS44976-83-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

44976-83-2 / 2-[di(propan-2-yl)amino]acetic acid

Standard CAS: 44976-83-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
44976-83-2
Multi CAS
No
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
InChI
InChI=1S/C8H17NO2/c1-6(2)9(7(3)4)5-8(10)11/h6-7H,5H2,1-4H3,(H,10,11)
InChIKey
HJOTVKSRXFESJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.61
TPSA
40.54

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
-0.8
Consensus LogP
0.48
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-2.85

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