CAS RN: 1935610-10-8
2-Quinazolinamine, 7-iodo-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1935610-10-8
- Purity/Analytical Methods: >99.0%
1935610-10-8 / 7-iodoquinazolin-2-amine
Basic Information
CAS
1935610-10-8
Multi CAS
No
Molecular Formula
C8H6IN3
Molecular Weight
271.060000
Exact Mass
270.960640
SMILES
C1=CC2=CN=C(N=C2C=C1I)N
InChI
InChI=1S/C8H6IN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-4H,(H2,10,11,12)
InChIKey
XZKSKODZZVPDLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.67
TPSA
51.8
LogP / Solubility
WLOGP
1.82
MLOGP
1.61
XLogP3
1.8
Consensus LogP
1.74
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
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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