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CAS 214472-06-7 4-[(tert-Butoxycarbonylamino)methyl]-2-cyanopyridine molecular structure lightbox
CAS RN: 214472-06-7

4-[(tert-Butoxycarbonylamino)methyl]-2-cyanopyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 200mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-102827
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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: >98%
  • 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 214472-06-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 0 Out of Stock Hong Kong Inquiry

214472-06-7 / tert-butyl N-[(2-cyano-4-pyridinyl)methyl]carbamate

Standard CAS: 214472-06-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214472-06-7
Multi CAS
No
Molecular Formula
C12H15N3O2
Molecular Weight
233.270000
Exact Mass
233.116427
SMILES
CC(C)(C)OC(=O)NCC1=CC(=NC=C1)C#N
InChI
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-8-9-4-5-14-10(6-9)7-13/h4-6H,8H2,1-3H3,(H,15,16)
InChIKey
RVMVGHFPBFHBTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.03
TPSA
75.01

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.4
Consensus LogP
1.71
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

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

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