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CAS 214470-68-5 4-CHLORO-7-(3-CHLORO-PROPOXY)-6-METHOXY-QUINOLINE-3-CARBONITRILE molecular structure lightbox
CAS RN: 214470-68-5

4-CHLORO-7-(3-CHLORO-PROPOXY)-6-METHOXY-QUINOLINE-3-CARBONITRILE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-102825
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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 214470-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

214470-68-5 / 4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile

Standard CAS: 214470-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214470-68-5
Multi CAS
No
Molecular Formula
C14H12Cl2N2O2
Molecular Weight
311.200000
Exact Mass
310.027583
SMILES
COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OCCCCl
InChI
InChI=1S/C14H12Cl2N2O2/c1-19-12-5-10-11(6-13(12)20-4-2-3-15)18-8-9(7-17)14(10)16/h5-6,8H,2-4H2,1H3
InChIKey
BEGHZKYNLSIHIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
78.85
TPSA
55.14

LogP / Solubility

WLOGP
3.78
MLOGP
3.34
XLogP3
3.4
Consensus LogP
3.51
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

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

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