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CAS 260970-57-8 4-[(tert-Butoxycarbonylamino)methyl]pyridine-2-carboxylic Acid [Reagent for application of the exciton chirality method] molecular structure lightbox
CAS RN: 260970-57-8

4-[(tert-Butoxycarbonylamino)methyl]pyridine-2-carboxylic Acid [Reagent for application of the exciton chirality method]

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-122963
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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: >96%
  • 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 260970-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >96% 0 Out of Stock Beijing Inquiry

260970-57-8 / 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid

Standard CAS: 260970-57-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
260970-57-8
Multi CAS
Yes
Molecular Formula
C12H16N2O4
Molecular Weight
252.270000
Exact Mass
252.111007
InChI
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-7-8-4-5-13-9(6-8)10(15)16/h4-6H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
BSNYTBOSHJFWQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.27
TPSA
88.52

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
1.2
Consensus LogP
1.53
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.98

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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