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CAS 152536-24-8 Methyl 2,4-dichloroquinazoline-5-carboxylate molecular structure lightbox
CAS RN: 152536-24-8

Methyl 2,4-dichloroquinazoline-5-carboxylate

  • Product code: SSC-062324
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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: 0.1g, 0.25g, 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 152536-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

152536-24-8 / methyl 2,4-dichloroquinazoline-5-carboxylate

Standard CAS: 152536-24-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152536-24-8
Multi CAS
No
Molecular Formula
C10H6Cl2N2O2
Molecular Weight
257.070000
Exact Mass
255.980633
SMILES
COC(=O)C1=C2C(=CC=C1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C10H6Cl2N2O2/c1-16-9(15)5-3-2-4-6-7(5)8(11)14-10(12)13-6/h2-4H,1H3
InChIKey
BTUGFFKTTXXJHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
60.9
TPSA
52.08

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
3.3
Consensus LogP
2.81
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.35

Drug-likeness / Medicinal Chemistry

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

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