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CAS 209798-48-1 tert-butyl (2-chloropyridin-3-yl)carbamate molecular structure lightbox
CAS RN: 209798-48-1

tert-butyl (2-chloropyridin-3-yl)carbamate

  • Product code: SSC-099633
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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: 0.1g, 1g, 0.25g, 10g, 5g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 209798-48-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Hong Kong Inquiry
1g ≥97% 2 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
10g ≥97% 1 In Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

209798-48-1 / tert-butyl N-(2-chloro-3-pyridinyl)carbamate

Standard CAS: 209798-48-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209798-48-1
Multi CAS
No
Molecular Formula
C10H13ClN2O2
Molecular Weight
228.670000
Exact Mass
228.066555
SMILES
CC(C)(C)OC(=O)NC1=C(N=CC=C1)Cl
InChI
InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(7)11/h4-6H,1-3H3,(H,13,14)
InChIKey
VUHVCMJKJLGRJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.1
TPSA
51.22

LogP / Solubility

WLOGP
3.08
MLOGP
2.72
XLogP3
2.4
Consensus LogP
2.73
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-1.93

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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