CAS RN: 1187223-25-1
4-(3-chlorophenylamino)-7-methoxyquinazolin-6-yl acetate
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.20260701 | 200mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1187223-25-1
- Purity/Analytical Methods: >99.0%
1187223-25-1 / [4-(3-chloroanilino)-7-methoxyquinazolin-6-yl] acetate
4-((3-Chlorophenyl)amino)-7-methoxyquinazolin-6-yl acetate | [4-(3-chloroanilino)-7-methoxyquinazolin-6-yl] acetate
Basic Information
CAS
1187223-25-1
Multi CAS
No
Molecular Formula
C17H14ClN3O3
Molecular Weight
343.800000
Exact Mass
343.072369
SMILES
CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC
InChI
InChI=1S/C17H14ClN3O3/c1-10(22)24-16-7-13-14(8-15(16)23-2)19-9-20-17(13)21-12-5-3-4-11(18)6-12/h3-9H,1-2H3,(H,19,20,21)
InChIKey
JZICUUOWBPEJKD-UHFFFAOYSA-N
Synonyms
4-((3-Chlorophenyl)amino)-7-methoxyquinazolin-6-yl acetate
[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl] acetate
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
92.13
TPSA
73.34
LogP / Solubility
WLOGP
3.96
MLOGP
3.5
XLogP3
3.8
Consensus LogP
3.75
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
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
No
Log Kp (skin permeation)
-2
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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