![CAS 1394121-05-1 1-((1-(2-aminopyrimidin-4-yl)-2-((2-methoxyethyl)amino)-1H-benzo[d]imidazol-6-yl)ethynyl)cyclohexanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1394121-05-1(2).gif)
CAS RN: 1394121-05-1
1-((1-(2-aminopyrimidin-4-yl)-2-((2-methoxyethyl)amino)-1H-benzo[d]imidazol-6-yl)ethynyl)cyclohexanol
Product Availability
Choose a grade to view its available package options.
13 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250530 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250627 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260131 | 250mg | Out of stock | Inquiry | |
| Batchno.20250719 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250718 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250618 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-050043
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 | Shenzhen | Inquiry |
1394121-05-1 / 1-[2-[3-(2-aminopyrimidin-4-yl)-2-(2-methoxyethylamino)benzimidazol-5-yl]ethynyl]cyclohexan-1-ol
Basic Information
CAS
1394121-05-1
Multi CAS
No
Molecular Formula
C22H26N6O2
Molecular Weight
406.500000
Exact Mass
406.211724
SMILES
COCCNC1=NC2=C(N1C3=NC(=NC=C3)N)C=C(C=C2)C#CC4(CCCCC4)O
InChI
InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
InChIKey
RZXMIHOUHYSGJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
116.35
TPSA
111.11
LogP / Solubility
WLOGP
2.5
MLOGP
2.23
XLogP3
2.6
Consensus LogP
2.44
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.42
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
3
Customers Also Viewed
-
-
-
3-Bromo-4-methoxyphenylboronic acid pinacol ester
- CAS RN: 1394130-69-8
- Product Code: SSC-050047
-
(R)-1-phenylethanamine (S)-2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
- CAS RN: 1394138-46-5
- Product Code: starshine_CAS1394138-46-5
- Purity/Analytical method: >99.0%
-
3′-(chloromethyl)-2,6-dimethyl-4-(3-(methylsulfonyl)propoxy)-1,1′-biphenyl
- CAS RN: 1394138-49-8
- Product Code: SSC-050048
-
8α-Hydroxyhirsutinolide
- CAS RN: 1394156-45-6
- Product Code: starshine_CAS1394156-45-6
- Purity/Analytical method: >99.0%
.gif)
.gif)
.gif)
.gif)
.gif)
.gif)