CAS RN: 2006277-49-0
2-(3-Chloropropyl)-6,7-dimethoxyquinazoline
- Product code: SSC-094499
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 | Beijing | Inquiry |
2006277-49-0 / 2-(3-chloropropyl)-6,7-dimethoxyquinazoline
Basic Information
CAS
2006277-49-0
Multi CAS
No
Molecular Formula
C13H15ClN2O2
Molecular Weight
266.720000
Exact Mass
266.082205
SMILES
COC1=C(C=C2C(=C1)C=NC(=N2)CCCCl)OC
InChI
InChI=1S/C13H15ClN2O2/c1-17-11-6-9-8-15-13(4-3-5-14)16-10(9)7-12(11)18-2/h6-8H,3-5H2,1-2H3
InChIKey
VMTTUEGYELJOTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
71.68
TPSA
44.24
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.7
Consensus LogP
2.67
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly 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)
-2.35
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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