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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2006277-23-0 / 2-(2-chloroethyl)-6-methoxyquinazoline
Basic Information
CAS
2006277-23-0
Multi CAS
No
Molecular Formula
C11H11ClN2O
Molecular Weight
222.670000
Exact Mass
222.055991
SMILES
COC1=CC2=CN=C(N=C2C=C1)CCCl
InChI
InChI=1S/C11H11ClN2O/c1-15-9-2-3-10-8(6-9)7-13-11(14-10)4-5-12/h2-3,6-7H,4-5H2,1H3
InChIKey
IYCGDDMIMUIZCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
60.51
TPSA
35.01
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.4
Consensus LogP
2.32
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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