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CAS 164464-60-2 Ethyl 2-chloropyridine-3-… molecular structure lightbox
CAS RN: 164464-60-2

Ethyl 2-chloropyridine-3-…

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251025 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-071906
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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: ＞97%
  • 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 164464-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

164464-60-2 / ethyl 2-(2-chloro-3-pyridinyl)acetate

Standard CAS: 164464-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
164464-60-2
Multi CAS
No
Molecular Formula
C9H10ClNO2
Molecular Weight
199.630000
Exact Mass
199.040006
SMILES
CCOC(=O)CC1=C(N=CC=C1)Cl
InChI
InChI=1S/C9H10ClNO2/c1-2-13-8(12)6-7-4-3-5-11-9(7)10/h3-5H,2,6H2,1H3
InChIKey
BOAKAIDVPSXXTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
49.58
TPSA
39.19

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
2
Consensus LogP
1.82
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.63

Drug-likeness / Medicinal Chemistry

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

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