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CAS 221697-86-5 4-CHLORO-6,7-DIMETHOXY-2-PHENYLQUINAZOLINE molecular structure lightbox
CAS RN: 221697-86-5

4-CHLORO-6,7-DIMETHOXY-2-PHENYLQUINAZOLINE

  • Product code: SSC-106651
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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 221697-86-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

221697-86-5 / 4-chloro-6,7-dimethoxy-2-phenylquinazoline

Standard CAS: 221697-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221697-86-5
Multi CAS
No
Molecular Formula
C16H13ClN2O2
Molecular Weight
300.740000
Exact Mass
300.066555
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)Cl)OC
InChI
InChI=1S/C16H13ClN2O2/c1-20-13-8-11-12(9-14(13)21-2)18-16(19-15(11)17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKey
NXUAKKINLOJPBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
83.09
TPSA
44.24

LogP / Solubility

WLOGP
3.97
MLOGP
3.5
XLogP3
4.4
Consensus LogP
3.96
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

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

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