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CAS 259825-43-9 D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI) molecular structure lightbox
CAS RN: 259825-43-9

D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-122772
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 259825-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

259825-43-9 / 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 259825-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259825-43-9
Multi CAS
No
Molecular Formula
C8H16N2O4
Molecular Weight
204.220000
Exact Mass
204.111007
SMILES
CC(C)(C)OC(=O)NCC(C(=O)O)N
InChI
InChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10-4-5(9)6(11)12/h5H,4,9H2,1-3H3,(H,10,13)(H,11,12)/t5-/m1/s1
InChIKey
ZSJIIZWMJVWKIR-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
49.85
TPSA
101.65

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.07
XLogP3
-2.7
Consensus LogP
-0.95
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.02

Drug-likeness / Medicinal Chemistry

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

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