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CAS 1591827-16-5 Methyl 6-chloro-3-methoxypyridazine-4-carboxylate molecular structure lightbox
CAS RN: 1591827-16-5

Methyl 6-chloro-3-methoxypyridazine-4-carboxylate

  • Product code: SSC-067206
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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 1591827-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1591827-16-5 / methyl 6-chloro-3-methoxypyridazine-4-carboxylate

Standard CAS: 1591827-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1591827-16-5
Multi CAS
No
Molecular Formula
C7H7ClN2O3
Molecular Weight
202.590000
Exact Mass
202.014520
SMILES
COC1=NN=C(C=C1C(=O)OC)Cl
InChI
InChI=1S/C7H7ClN2O3/c1-12-6-4(7(11)13-2)3-5(8)9-10-6/h3H,1-2H3
InChIKey
PKXXKDJDYMOWHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
44.93
TPSA
61.31

LogP / Solubility

WLOGP
0.93
MLOGP
0.81
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-3.3

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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