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CAS 2006277-21-8 2-(2-Chloroethyl)-6,7-dimethoxyquinazoline molecular structure lightbox
CAS RN: 2006277-21-8

2-(2-Chloroethyl)-6,7-dimethoxyquinazoline

  • Product code: SSC-094475
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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 2006277-21-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2006277-21-8 / 2-(2-chloroethyl)-6,7-dimethoxyquinazoline

Standard CAS: 2006277-21-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006277-21-8
Multi CAS
No
Molecular Formula
C12H13ClN2O2
Molecular Weight
252.690000
Exact Mass
252.066555
SMILES
COC1=C(C=C2C(=C1)C=NC(=N2)CCCl)OC
InChI
InChI=1S/C12H13ClN2O2/c1-16-10-5-8-7-14-12(3-4-13)15-9(8)6-11(10)17-2/h5-7H,3-4H2,1-2H3
InChIKey
PMZKUSUSGHZTTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
67.07
TPSA
44.24

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.4
Consensus LogP
2.32
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.54

Drug-likeness / Medicinal Chemistry

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

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