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CAS 1538605-06-9 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline molecular structure lightbox
CAS RN: 1538605-06-9

2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline

  • Product code: SSC-063235
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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 1538605-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1538605-06-9 / 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline

Standard CAS: 1538605-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1538605-06-9
Multi CAS
No
Molecular Formula
C16H11Cl3N2O2
Molecular Weight
369.600000
Exact Mass
367.988611
SMILES
COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3C=C2)Cl)Cl)OC
InChI
InChI=1S/C16H11Cl3N2O2/c1-22-11-6-12(23-2)15(18)13(14(11)17)8-3-4-10-9(5-8)7-20-16(19)21-10/h3-7H,1-2H3
InChIKey
KSRLAAQEDOJQDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
93.11
TPSA
44.24

LogP / Solubility

WLOGP
5.27
MLOGP
4.66
XLogP3
5.3
Consensus LogP
5.08
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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