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CAS 1107694-98-3 2-Chloro-7-Methoxyquinazolin-4-aMine molecular structure lightbox
CAS RN: 1107694-98-3

2-Chloro-7-Methoxyquinazolin-4-aMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260308 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-011741
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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: ＞97%
  • 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 1107694-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1107694-98-3 / 2-chloro-7-methoxyquinazolin-4-amine

2-Chloro-7-methoxyquinazolin-4-amine | MFCD11858269 | SCHEMBL11607173

Standard CAS: 1107694-98-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1107694-98-3
Multi CAS
No
Molecular Formula
C9H8ClN3O
Molecular Weight
209.630000
Exact Mass
209.035590
SMILES
COC1=CC2=C(C=C1)C(=NC(=N2)Cl)N
InChI
InChI=1S/C9H8ClN3O/c1-14-5-2-3-6-7(4-5)12-9(10)13-8(6)11/h2-4H,1H3,(H2,11,12,13)
InChIKey
MALGGQRSJPPTOB-UHFFFAOYSA-N
Synonyms
2-Chloro-7-methoxyquinazolin-4-amine MFCD11858269 SCHEMBL11607173 AKOS022178252 2-chloro-7-methoxy-quinazolin-4-amine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.51
TPSA
61.03

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
2.1
Consensus LogP
1.87
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

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

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