CAS RN: 1320288-30-9
2,4-Dichloro-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline
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.20250810 | 5g / 10g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1320288-30-9
- Purity/Analytical Methods: >99.0%
1320288-30-9 / 2,4-dichloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
Basic Information
CAS
1320288-30-9
Multi CAS
No
Molecular Formula
C16H19Cl2N3O2
Molecular Weight
356.200000
Exact Mass
355.085432
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)Cl)OCCCN3CCCC3
InChI
InChI=1S/C16H19Cl2N3O2/c1-22-13-9-11-12(19-16(18)20-15(11)17)10-14(13)23-8-4-7-21-5-2-3-6-21/h9-10H,2-8H2,1H3
InChIKey
HWTKBTXVRGWUAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
91.9
TPSA
47.48
LogP / Solubility
WLOGP
3.81
MLOGP
3.37
XLogP3
4.3
Consensus LogP
3.83
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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