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CAS 1145671-38-0 4-chloro-7-hydroxyquinazolin-6-yl 2,2-diMethylpropanoate molecular structure lightbox
CAS RN: 1145671-38-0

4-chloro-7-hydroxyquinazolin-6-yl 2,2-diMethylpropanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-014284
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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 1145671-38-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1145671-38-0 / (4-chloro-7-hydroxyquinazolin-6-yl) 2,2-dimethylpropanoate

4-Chloro-7-hydroxyquinazolin-6-yl pivalate | (4-chloro-7-hydroxyquinazolin-6-yl) 2,2-dimethylpropanoate | 4-CHLORO-7-HYDROXYQUINAZOLIN-6-YL 2,2-DIMETHYLPROPANOATE

Standard CAS: 1145671-38-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1145671-38-0
Multi CAS
Yes
Molecular Formula
C13H13ClN2O3
Molecular Weight
280.700000
Exact Mass
280.061470
SMILES
CC(C)(C)C(=O)OC1=C(C=C2C(=C1)C(=NC=N2)Cl)O
InChI
InChI=1S/C13H13ClN2O3/c1-13(2,3)12(18)19-10-4-7-8(5-9(10)17)15-6-16-11(7)14/h4-6,17H,1-3H3
InChIKey
QHCBJLQPMHZHEY-UHFFFAOYSA-N
Synonyms
4-Chloro-7-hydroxyquinazolin-6-yl pivalate (4-chloro-7-hydroxyquinazolin-6-yl) 2,2-dimethylpropanoate 4-CHLORO-7-HYDROXYQUINAZOLIN-6-YL 2,2-DIMETHYLPROPANOATE PROPANOIC ACID, 2,2-DIMETHYL-, 4-CHLORO-7-HYDROXY-6-QUINAZOLINYL ESTER SCHEMBL16295087

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.3
TPSA
72.31

LogP / Solubility

WLOGP
2.94
MLOGP
2.6
XLogP3
3.3
Consensus LogP
2.95
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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