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CAS 2006276-97-5 2-(Chloromethyl)-6,7-dimethoxyquinazoline molecular structure lightbox
CAS RN: 2006276-97-5

2-(Chloromethyl)-6,7-dimethoxyquinazoline

  • Product code: SSC-094456
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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 2006276-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2006276-97-5 / 2-(chloromethyl)-6,7-dimethoxyquinazoline

Standard CAS: 2006276-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006276-97-5
Multi CAS
No
Molecular Formula
C11H11ClN2O2
Molecular Weight
238.670000
Exact Mass
238.050905
SMILES
COC1=C(C=C2C(=C1)C=NC(=N2)CCl)OC
InChI
InChI=1S/C11H11ClN2O2/c1-15-9-3-7-6-13-11(5-12)14-8(7)4-10(9)16-2/h3-4,6H,5H2,1-2H3
InChIKey
BGMOOJPGCDMPED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
62.2
TPSA
44.24

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
1.9
Consensus LogP
2.13
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.48

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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