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CAS 6384-18-5 dimethyl L-aspartate molecular structure lightbox
CAS RN: 6384-18-5

dimethyl L-aspartate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS6384-18-5
  • Purity/Analytical Methods: >99.0%
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6384-18-5 / dimethyl (2S)-2-aminobutanedioate

Standard CAS: 6384-18-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6384-18-5
Multi CAS
Yes
Molecular Formula
C6H11NO4
Molecular Weight
161.160000
Exact Mass
161.068808
InChI
InChI=1S/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3/t4-/m0/s1
InChIKey
BYHXBBOSJKPUJL-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
36.62
TPSA
78.62

LogP / Solubility

WLOGP
-0.95
MLOGP
-0.84
XLogP3
-0.9
Consensus LogP
-0.9
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.28
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.38

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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