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CAS 911417-24-8 Phenol, 3-(4-chloro-2-quinazolinyl)-, 1-acetate molecular structure lightbox
CAS RN: 911417-24-8

Phenol, 3-(4-chloro-2-quinazolinyl)-, 1-acetate

  • Product code: SSC-203999
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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, 5g
  • 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 911417-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

911417-24-8 / [3-(4-chloroquinazolin-2-yl)phenyl] acetate

Standard CAS: 911417-24-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
911417-24-8
Multi CAS
No
Molecular Formula
C16H11CLN2O2
Molecular Weight
298.720000
Exact Mass
298.050905
InChI
InChI=1S/C16H11ClN2O2/c1-10(20)21-12-6-4-5-11(9-12)16-18-14-8-3-2-7-13(14)15(17)19-16/h2-9H,1H3
InChIKey
YWMUDDXQSHDRFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
81.29
TPSA
52.08

LogP / Solubility

WLOGP
3.88
MLOGP
3.42
XLogP3
4.2
Consensus LogP
3.83
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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