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CAS 605661-85-6 2,3-Pyridinedicarboxylic acid, 4-chloro- molecular structure lightbox
CAS RN: 605661-85-6

2,3-Pyridinedicarboxylic acid, 4-chloro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-169180
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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: ≥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 605661-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

605661-85-6 / 4-chloropyridine-2,3-dicarboxylic acid

Standard CAS: 605661-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
605661-85-6
Multi CAS
No
Molecular Formula
C7H4CLNO4
Molecular Weight
201.560000
Exact Mass
200.982885
InChI
InChI=1S/C7H4ClNO4/c8-3-1-2-9-5(7(12)13)4(3)6(10)11/h1-2H,(H,10,11)(H,12,13)
InChIKey
ASZRIBNKXOGEDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.17
TPSA
87.49

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

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

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