CAS RN: 1035555-63-5
TAK-733
Product Availability
Choose a grade to view its available package options.
12 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260419 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260411 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250929 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250621 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250801 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260305 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-005136
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 |
1035555-63-5 / 3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CHEMBL1684070 | (s)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione | SCHEMBL1528894
Basic Information
CAS
1035555-63-5
Multi CAS
Yes
Molecular Formula
C17H15F2IN4O4
Molecular Weight
504.230000
Exact Mass
504.010610
SMILES
CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)C[C@H](CO)O
InChI
InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
InChIKey
RCLQNICOARASSR-SECBINFHSA-N
Synonyms
CHEMBL1684070
(s)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione
SCHEMBL1528894
RCLQNICOARASSR-VIFPVBQESA-N
BDBM50337929
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
106.69
TPSA
109.38
LogP / Solubility
WLOGP
1.07
MLOGP
0.98
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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