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CAS 672324-82-2 tert-Butyl (4-(chloroMethyl)pyridin-2-yl)carbaMate molecular structure lightbox
CAS RN: 672324-82-2

tert-Butyl (4-(chloroMethyl)pyridin-2-yl)carbaMate

  • Product code: SSC-176910
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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: 0.25g
  • 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 672324-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

672324-82-2 / tert-butyl N-[4-(chloromethyl)-2-pyridinyl]carbamate

Standard CAS: 672324-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
672324-82-2
Multi CAS
No
Molecular Formula
C11H15CLN2O2
Molecular Weight
242.700000
Exact Mass
242.082205
InChI
InChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-9-6-8(7-12)4-5-13-9/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKey
HMQFDFGFYVYALU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.65
TPSA
51.22

LogP / Solubility

WLOGP
3.17
MLOGP
2.79
XLogP3
2.1
Consensus LogP
2.69
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly 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)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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