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CAS 1185113-73-8 8-Chloroquinazolin-2-aMine molecular structure lightbox
CAS RN: 1185113-73-8

8-Chloroquinazolin-2-aMine

  • Product code: SSC-018321
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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 1185113-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1185113-73-8 / 8-chloroquinazolin-2-amine

8-Chloroquinazolin-2-amine | 2-Amino-8-chloroquinazoline | MFCD10565604

Standard CAS: 1185113-73-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185113-73-8
Multi CAS
No
Molecular Formula
C8H6ClN3
Molecular Weight
179.600000
Exact Mass
179.025025
SMILES
C1=CC2=CN=C(N=C2C(=C1)Cl)N
InChI
InChI=1S/C8H6ClN3/c9-6-3-1-2-5-4-11-8(10)12-7(5)6/h1-4H,(H2,10,11,12)
InChIKey
PWVPZLGZIYQHPP-UHFFFAOYSA-N
Synonyms
8-Chloroquinazolin-2-amine 2-Amino-8-chloroquinazoline MFCD10565604 8-Chloro-quinazolin-2-ylamine SCHEMBL7705046

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.96
TPSA
51.8

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
1.8
Consensus LogP
1.77
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.49

Drug-likeness / Medicinal Chemistry

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

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