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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
884340-91-4 / 4-chloro-5,7-dimethoxyquinazoline
Basic Information
CAS
884340-91-4
Multi CAS
No
Molecular Formula
C10H9CLN2O2
Molecular Weight
224.640000
Exact Mass
224.035255
InChI
InChI=1S/C10H9ClN2O2/c1-14-6-3-7-9(8(4-6)15-2)10(11)13-5-12-7/h3-5H,1-2H3
InChIKey
BTGIKZVZNHHDAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
57.65
TPSA
44.24
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.24
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
