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CAS 639091-75-1 Methyl 2-(Boc-amino)isonicotinate molecular structure lightbox
CAS RN: 639091-75-1

Methyl 2-(Boc-amino)isonicotinate

  • Product code: SSC-173706
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 639091-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

639091-75-1 / methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate

Standard CAS: 639091-75-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
639091-75-1
Multi CAS
Yes
Molecular Formula
C12H16N2O4
Molecular Weight
252.270000
Exact Mass
252.111007
InChI
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-7-8(5-6-13-9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16)
InChIKey
TZCLGBJFBGZAQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.43
TPSA
77.52

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
1.5
Consensus LogP
1.89
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.69

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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