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CAS 754992-21-7 4,6-Dichloro-1,3-dihydro-furo[3,4-c]pyridine molecular structure lightbox
CAS RN: 754992-21-7

4,6-Dichloro-1,3-dihydro-furo[3,4-c]pyridine

  • Product code: SSC-184954
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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: 0.25g
  • Available purity: ≥97%
  • 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 754992-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry

754992-21-7 / 4,6-dichloro-1,3-dihydrofuro[3,4-c]pyridine

Standard CAS: 754992-21-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
754992-21-7
Multi CAS
No
Molecular Formula
C7H5CL2NO
Molecular Weight
190.020000
Exact Mass
188.974819
InChI
InChI=1S/C7H5Cl2NO/c8-6-1-4-2-11-3-5(4)7(9)10-6/h1H,2-3H2
InChIKey
XNBVMZPZDIOCIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
Molar refractivity
42.75
TPSA
22.12

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
2
Consensus LogP
2.18
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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