CAS RN: 788136-89-0
4-(3-Chloro-4-fluorophenylamino)-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.20260322 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-188124
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
788136-89-0 / [4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate
Basic Information
CAS
788136-89-0
Multi CAS
Yes
Molecular Formula
C17H13CLFN3O3
Molecular Weight
361.800000
Exact Mass
361.062947
InChI
InChI=1S/C17H13ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8H,1-2H3,(H,20,21,22)
InChIKey
ANGPUOTYQQFHKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
92.09
TPSA
73.34
LogP / Solubility
WLOGP
4.1
MLOGP
3.63
XLogP3
3.9
Consensus LogP
3.88
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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)
-2.02
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
Customers Also Viewed
-
FMOC-(R)-3-AMINO-4-(2-BROMO-PHENYL)-BUTYRIC ACID
- CAS RN: 788149-96-2
- Product Code: SSC-188128
-
-
(S)-1,4-N-Diboc-2-piperazine-2-carboxylic acid
- CAS RN: 788799-69-9
- Product Code: SSC-188152
-
-
(R)-2-((tert-butoxycarbonyl)amino)-3-morpholinopropanoic acid
- CAS RN: 788819-12-5
- Product Code: SSC-188155
-
![CAS 788812-21-5 SPIRO[ISOINDOLINE-1,4′-PIPERIDIN]-3-ONE HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12647017.gif)
![CAS 788819-82-9 iMidazo[1,2-a]pyrazine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/788819-82-9.gif)