Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1107695-06-6 / 2,5-dichloroquinazolin-4-amine
4-Amino-2,5-dichloroquinazoline | 2,5-Dichloroquinazolin-4-amine | MFCD11858274
Basic Information
CAS
1107695-06-6
Multi CAS
Yes
Molecular Formula
C8H5Cl2N3
Molecular Weight
214.050000
Exact Mass
212.986053
SMILES
C1=CC2=C(C(=C1)Cl)C(=NC(=N2)Cl)N
InChI
InChI=1S/C8H5Cl2N3/c9-4-2-1-3-5-6(4)7(11)13-8(10)12-5/h1-3H,(H2,11,12,13)
InChIKey
KWONOEUAYOZICR-UHFFFAOYSA-N
Synonyms
4-Amino-2,5-dichloroquinazoline
2,5-Dichloroquinazolin-4-amine
MFCD11858274
2,5-dichloro-4-Quinazolinamine
SCHEMBL21497073
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.97
TPSA
51.8
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.24
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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