CAS RN: 1059734-66-5
BMS 833923
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251109 | 5mg / 25mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-007613
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1059734-66-5 / N-[2-methyl-5-(methylaminomethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
BMS-833923 | BMS 833923 | XL139
Basic Information
CAS
1059734-66-5
Multi CAS
No
Molecular Formula
C30H27N5O
Molecular Weight
473.600000
Exact Mass
473.221561
SMILES
CC1=C(C=C(C=C1)CNC)NC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C30H27N5O/c1-20-12-13-21(19-31-2)18-27(20)33-29(36)23-14-16-24(17-15-23)32-30-34-26-11-7-6-10-25(26)28(35-30)22-8-4-3-5-9-22/h3-18,31H,19H2,1-2H3,(H,33,36)(H,32,34,35)
InChIKey
KLRRGBHZCJLIEL-UHFFFAOYSA-N
Synonyms
BMS-833923
BMS 833923
XL139
BMS-833923 free base anhydrous
XL-139
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
28
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
146.59
TPSA
78.94
LogP / Solubility
WLOGP
6.32
MLOGP
5.59
XLogP3
5.7
Consensus LogP
5.87
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-8.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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