CAS RN: 1035227-44-1
AZ-505
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250126 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260222 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251116 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260422 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250312 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250411 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251222 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250919 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1035227-44-1
- Purity/Analytical Methods: >99.0%
1035227-44-1 / N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide;bis(2,2,2-trifluoroacetic acid)
Basic Information
CAS
1035227-44-1
Multi CAS
Yes
Molecular Formula
C33H40Cl2F6N4O8
Molecular Weight
805.600000
Exact Mass
804.212739
SMILES
C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C29H38Cl2N4O4.2C2HF3O2/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28;2*3-2(4,5)1(6)7/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37);2*(H,6,7)
InChIKey
LTZSXVZCRINTGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
13
H-bond acceptors
8
H-bond donors
6
Molar refractivity
182.43
TPSA
177.53
LogP / Solubility
WLOGP
5.81
MLOGP
5.19
XLogP3
5.81
Consensus LogP
5.6
Log S (ESOL)
-7.81
Class (ESOL)
Insoluble
Log S (Ali)
-10.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
1-(4-(benzyloxy)-2-hydroxy-3-nitrophenyl)ethanone
- CAS RN: 1035229-31-2
- Product Code: SSC-005088
-
8-acetyl-5-(benzyloxy)-2H-benzo[b][1,4]oxazin-3(4H)-one
- CAS RN: 1035229-32-3
- Product Code: SSC-005089
-
5-(benzyloxy)-8-(2-chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
- CAS RN: 1035229-33-4
- Product Code: SSC-005090
-
8-(2-aMinoethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride
- CAS RN: 1035229-35-6
- Product Code: starshine_CAS1035229-35-6
- Purity/Analytical method: >99.0%
-
Methyl 4-(2-broMophenyl)-2,4-dioxobutanoate
- CAS RN: 1035235-10-9
- Product Code: SSC-005093
-
Methyl 5-(2-broMophenyl)-1H-pyrazol-3-carboxylate
- CAS RN: 1035235-11-0
- Product Code: SSC-005094
![CAS 1035229-32-3 8-acetyl-5-(benzyloxy)-2H-benzo[b][1,4]oxazin-3(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1035229-32-3.gif)
![CAS 1035229-33-4 5-(benzyloxy)-8-(2-chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1035229-33-4.gif)
![CAS 1035229-35-6 8-(2-aMinoethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1035229-35-6.gif)
