![CAS 2244987-03-7 Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N’-(phenylmethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2244987-03-7.gif)
CAS RN: 2244987-03-7
Urea, N-[trans-4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-N-[4-(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)phenyl]-N’-(phenylmethyl)-
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250906 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250719 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251017 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250531 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250205 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250712 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-109634
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 |
2244987-03-7 / 3-benzyl-1-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]urea
Basic Information
CAS
2244987-03-7
Multi CAS
No
Molecular Formula
C32H32N6O2
Molecular Weight
532.600000
Exact Mass
532.258674
SMILES
CN1C=C(C=CC1=O)C2=CC=C(C=C2)N(C3CCC(CC3)NC4=NC=C(C=C4)C#N)C(=O)NCC5=CC=CC=C5
InChI
InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)
InChIKey
HDJBGURZVALLMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
156.89
TPSA
103.05
LogP / Solubility
WLOGP
5.46
MLOGP
4.84
XLogP3
4.2
Consensus LogP
4.83
Log S (ESOL)
-6.56
Class (ESOL)
Insoluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 2245053-57-8 1-Propanone, 1-[5-[(2,3-dihydro-1,4-dioxino[2,3-b]pyridin-7-yl)sulfonyl]-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-hydroxy-2-phenyl-, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2245053-57-8.gif)
