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CAS 339276-34-5 METHYL 1-(6-CHLORO-3-PYRIDAZINYL)-4-PIPERIDINECARBOXYLATE molecular structure lightbox
CAS RN: 339276-34-5

METHYL 1-(6-CHLORO-3-PYRIDAZINYL)-4-PIPERIDINECARBOXYLATE

  • Product code: SSC-140126
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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, 5g, 25g
  • 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 339276-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry

339276-34-5 / methyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate

Standard CAS: 339276-34-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
339276-34-5
Multi CAS
Yes
Molecular Formula
C11H14CLN3O2
Molecular Weight
255.700000
Exact Mass
255.077454
InChI
InChI=1S/C11H14ClN3O2/c1-17-11(16)8-4-6-15(7-5-8)10-3-2-9(12)13-14-10/h2-3,8H,4-7H2,1H3
InChIKey
HPDABTZAYLFFDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
64
TPSA
55.32

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.6
Consensus LogP
1.49
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

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

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