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CAS 1016773-98-0 4-chloro-6-fluoro-8-methylquinoline-3-carbonitrile molecular structure lightbox
CAS RN: 1016773-98-0

4-chloro-6-fluoro-8-methylquinoline-3-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-002562
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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 1016773-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1016773-98-0 / 4-chloro-6-fluoro-8-methylquinoline-3-carbonitrile

4-chloro-6-fluoro-8-methylquinoline-3-carbonitrile | MFCD09934836 | RQB77398

Standard CAS: 1016773-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1016773-98-0
Multi CAS
No
Molecular Formula
C11H6ClFN2
Molecular Weight
220.630000
Exact Mass
220.020354
SMILES
CC1=CC(=CC2=C(C(=CN=C12)C#N)Cl)F
InChI
InChI=1S/C11H6ClFN2/c1-6-2-8(13)3-9-10(12)7(4-14)5-15-11(6)9/h2-3,5H,1H3
InChIKey
LXTFNZUCUGAACF-UHFFFAOYSA-N
Synonyms
4-chloro-6-fluoro-8-methylquinoline-3-carbonitrile MFCD09934836 RQB77398 AKOS000178687 SY194422

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
H-bond acceptors
2
Molar refractivity
56.16
TPSA
36.68

LogP / Solubility

WLOGP
3.21
MLOGP
2.82
XLogP3
3
Consensus LogP
3.01
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.79

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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