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CAS 1396554-42-9 Methyl 3-chloroimidazo-[1,2-a]pyridine-7-carboxylate molecular structure lightbox
CAS RN: 1396554-42-9

Methyl 3-chloroimidazo-[1,2-a]pyridine-7-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260526 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-050232
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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 1396554-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1396554-42-9 / methyl 3-chloroimidazo[1,2-a]pyridine-7-carboxylate

Standard CAS: 1396554-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1396554-42-9
Multi CAS
No
Molecular Formula
C9H7ClN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
SMILES
COC(=O)C1=CC2=NC=C(N2C=C1)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-9(13)6-2-3-12-7(10)5-11-8(12)4-6/h2-5H,1H3
InChIKey
YGAVUWXJDVMPEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.54
TPSA
43.6

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
2.6
Consensus LogP
1.98
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

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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