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CAS 887572-34-1 6-CHLORO-4-ETHOXYNICOTINIC ACID molecular structure lightbox
CAS RN: 887572-34-1

6-CHLORO-4-ETHOXYNICOTINIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-200332
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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: ≥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 887572-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

887572-34-1 / 6-chloro-4-ethoxypyridine-3-carboxylic acid

Standard CAS: 887572-34-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887572-34-1
Multi CAS
No
Molecular Formula
C8H8CLNO3
Molecular Weight
201.610000
Exact Mass
201.019271
InChI
InChI=1S/C8H8ClNO3/c1-2-13-6-3-7(9)10-4-5(6)8(11)12/h3-4H,2H2,1H3,(H,11,12)
InChIKey
KCYIQGBNKNCDNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.38
TPSA
59.42

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.7
Consensus LogP
1.71
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
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)
-2.65

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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