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CAS 1344202-33-0 6,6-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine molecular structure lightbox
CAS RN: 1344202-33-0

6,6-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine

  • Product code: SSC-042138
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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 1344202-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1344202-33-0 / 6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-amine

Standard CAS: 1344202-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1344202-33-0
Multi CAS
No
Molecular Formula
C10H15N3
Molecular Weight
177.250000
Exact Mass
177.126597
SMILES
CC1(CCC2=NC(=NC=C2C1)N)C
InChI
InChI=1S/C10H15N3/c1-10(2)4-3-8-7(5-10)6-12-9(11)13-8/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKey
ZSOYTYYLRFKVNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.25
TPSA
51.8

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.7
Consensus LogP
1.55
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

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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