[email protected]
CAS 19993-26-1 N-ACETYL-D-ALA-D-ALA molecular structure lightbox
CAS RN: 19993-26-1

N-ACETYL-D-ALA-D-ALA

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19993-26-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

19993-26-1 / (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid

Standard CAS: 19993-26-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19993-26-1
Multi CAS
No
Molecular Formula
C8H14N2O4
Molecular Weight
202.210000
Exact Mass
202.095357
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)C
InChI
InChI=1S/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4-,5-/m0/s1
InChIKey
MJZMSEWWBGCBFM-WHFBIAKZSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
48.52
TPSA
95.5

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.79
XLogP3
-1.3
Consensus LogP
-1
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us