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CAS 800401-67-6 ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate molecular structure lightbox
CAS RN: 800401-67-6

ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 1g In stock Inquiry
Batchno.20250221 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 100mg In stock Tianjin Inquiry
Batchno.20250913 1g In stock Tianjin Inquiry
Batchno.20251023 250mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250506 5g Out of stock Inquiry
  • Product code: SSC-189054
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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 800401-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

800401-67-6 / ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

Standard CAS: 800401-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
800401-67-6
Multi CAS
No
Molecular Formula
C10H9CLN2O2
Molecular Weight
224.640000
Exact Mass
224.035255
InChI
InChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-3-6-4-9(11)12-5-8(6)13-7/h3-5,13H,2H2,1H3
InChIKey
ZQKMNQPQMGJIHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.06
TPSA
54.98

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.5
Consensus LogP
2.33
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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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