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CAS 209526-94-3 3-(5-METHOXYPYRIDIN-2-YL)-N-BOC-DL-ALANINE molecular structure lightbox
CAS RN: 209526-94-3

3-(5-METHOXYPYRIDIN-2-YL)-N-BOC-DL-ALANINE

  • Product code: SSC-099286
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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 209526-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

209526-94-3 / 3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 209526-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209526-94-3
Multi CAS
No
Molecular Formula
C14H20N2O5
Molecular Weight
296.320000
Exact Mass
296.137222
SMILES
CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OC)C(=O)O
InChI
InChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-11(12(17)18)7-9-5-6-10(20-4)8-15-9/h5-6,8,11H,7H2,1-4H3,(H,16,19)(H,17,18)
InChIKey
UAQXYMNJNCIQAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
75.29
TPSA
97.75

LogP / Solubility

WLOGP
1.61
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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