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CAS 89660-15-1 ethyl (2-chloro-5-pyridyl)carbamate molecular structure lightbox
CAS RN: 89660-15-1

ethyl (2-chloro-5-pyridyl)carbamate

  • Product code: SSC-201696
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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: 5g
  • 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 89660-15-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

89660-15-1 / ethyl N-(6-chloro-3-pyridinyl)carbamate

Standard CAS: 89660-15-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89660-15-1
Multi CAS
No
Molecular Formula
C8H9CLN2O2
Molecular Weight
200.620000
Exact Mass
200.035255
InChI
InChI=1S/C8H9ClN2O2/c1-2-13-8(12)11-6-3-4-7(9)10-5-6/h3-5H,2H2,1H3,(H,11,12)
InChIKey
ZKJFDWOFTPBEQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.89
TPSA
51.22

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
1.8
Consensus LogP
2.04
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-2.31

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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