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CAS 203321-86-2 Ethyl 6-((tert-butoxycarbonyl)aMino)picolinate molecular structure lightbox
CAS RN: 203321-86-2

Ethyl 6-((tert-butoxycarbonyl)aMino)picolinate

  • Product code: SSC-095740
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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 203321-86-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

203321-86-2 / ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

Standard CAS: 203321-86-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203321-86-2
Multi CAS
No
Molecular Formula
C13H18N2O4
Molecular Weight
266.290000
Exact Mass
266.126657
SMILES
CCOC(=O)C1=NC(=CC=C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H18N2O4/c1-5-18-11(16)9-7-6-8-10(14-9)15-12(17)19-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17)
InChIKey
LXFUIDQWOBQJOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.05
TPSA
77.52

LogP / Solubility

WLOGP
2.61
MLOGP
2.3
XLogP3
2.3
Consensus LogP
2.4
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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