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CAS 1044768-44-6 4-chloro-6-fluoro-2-methylquinazoline molecular structure lightbox
CAS RN: 1044768-44-6

4-chloro-6-fluoro-2-methylquinazoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-006251
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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: 5g
  • 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 1044768-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1044768-44-6 / 4-chloro-6-fluoro-2-methylquinazoline

4-chloro-6-fluoro-2-methylquinazoline | MFCD11047031 | 4-chloro-6-fluoro-2-methyl-quinazoline

Standard CAS: 1044768-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1044768-44-6
Multi CAS
No
Molecular Formula
C9H6ClFN2
Molecular Weight
196.610000
Exact Mass
196.020354
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=N1)Cl
InChI
InChI=1S/C9H6ClFN2/c1-5-12-8-3-2-6(11)4-7(8)9(10)13-5/h2-4H,1H3
InChIKey
GVNJOQDCIFAIOG-UHFFFAOYSA-N
Synonyms
4-chloro-6-fluoro-2-methylquinazoline MFCD11047031 4-chloro-6-fluoro-2-methyl-quinazoline DTXSID40647978 AKOS005145993

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
49.24
TPSA
25.78

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
3
Consensus LogP
2.71
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

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

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