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CAS 101617-91-8 2-CHLORO-6-METHOXYQUINOLINE-3-CARBONITRILE molecular structure lightbox
CAS RN: 101617-91-8

2-CHLORO-6-METHOXYQUINOLINE-3-CARBONITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-002442
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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: ＞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 101617-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

101617-91-8 / 2-chloro-6-methoxyquinoline-3-carbonitrile

2-Chloro-6-methoxyquinoline-3-carbonitrile | MFCD02740422 | 3-Quinolinecarbonitrile, 2-chloro-6-methoxy-

Standard CAS: 101617-91-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101617-91-8
Multi CAS
No
Molecular Formula
C11H7ClN2O
Molecular Weight
218.640000
Exact Mass
218.024691
SMILES
COC1=CC2=CC(=C(N=C2C=C1)Cl)C#N
InChI
InChI=1S/C11H7ClN2O/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(12)14-10/h2-5H,1H3
InChIKey
AMFXVCDHDIEGIM-UHFFFAOYSA-N
Synonyms
2-Chloro-6-methoxyquinoline-3-carbonitrile MFCD02740422 3-Quinolinecarbonitrile, 2-chloro-6-methoxy- MLS000693020 2-CHLORO-6-METHOXY-3-QUINOLINECARBONITRILE

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.02
TPSA
45.91

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.67
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.09

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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