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CAS 899900-52-8 (R)-2-(diMethylaMino)-3-Methylbutanoic acid molecular structure lightbox
CAS RN: 899900-52-8

(R)-2-(diMethylaMino)-3-Methylbutanoic acid

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260113 1g / 5g / 10g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250412 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: starshine_CAS899900-52-8
  • Purity/Analytical Methods: >99.0%
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899900-52-8 / 2-(dimethylamino)-3-methylbutanoic acid

Standard CAS: 899900-52-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
899900-52-8
Multi CAS
Yes
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
InChI
InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m1/s1
InChIKey
APGLTERDKORUHK-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.95
TPSA
40.54

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
-1.1
Consensus LogP
0.04
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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