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CAS 18635-43-3 3-Amino-N-Cbz-DL-alanine molecular structure lightbox
CAS RN: 18635-43-3

3-Amino-N-Cbz-DL-alanine

  • Product code: SSC-086421
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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: ≥95%
  • 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 18635-43-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

18635-43-3 / 3-amino-2-(phenylmethoxycarbonylamino)propanoic acid

Standard CAS: 18635-43-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18635-43-3
Multi CAS
No
Molecular Formula
C11H14N2O4
Molecular Weight
238.240000
Exact Mass
238.095357
SMILES
C1=CC=C(C=C1)COC(=O)NC(CN)C(=O)O
InChI
InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)
InChIKey
FOXRXVSTFGNURG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
60.24
TPSA
101.65

LogP / Solubility

WLOGP
0.32
MLOGP
0.29
XLogP3
-2.2
Consensus LogP
-0.53
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-3.94

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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