CAS RN: 1233339-22-4
AZ20
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260325 | 1ml | In stock | Inquiry |
- Product code: SSC-026988
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 |
1233339-22-4 / (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
Basic Information
CAS
1233339-22-4
Multi CAS
No
Molecular Formula
C21H24N4O3S
Molecular Weight
412.500000
Exact Mass
412.156912
SMILES
C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4
InChI
InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1
InChIKey
SCGCBAAYLFTIJU-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
112.71
TPSA
88.18
LogP / Solubility
WLOGP
2.88
MLOGP
2.56
XLogP3
2.1
Consensus LogP
2.51
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
Customers Also Viewed
-
(R)-(2-chloro-6-(3-methylmorpholino)pyrimidin-4-yl)methanol
- CAS RN: 1233339-70-2
- Product Code: SSC-026989
-
(R)-4-(2-chloro-6-(iodomethyl)pyrimidin-4-yl)-3-methylmorpholine
- CAS RN: 1233339-72-4
- Product Code: SSC-026990
-
-
N-[(1S,2S)-2-[bis(phenylMethyl)aMino]cyclohexyl]-N’-[3,5-bis(trifluoroMethyl)phenyl]-Thiourea
- CAS RN: 1233369-39-5
- Product Code: SSC-026999
-
N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1S,2S)-2-(diMethylaMino)-1,2-diphenylethyl]-Thiourea
- CAS RN: 1233369-41-9
- Product Code: SSC-027000
-
![CAS 1233369-39-5 N-[(1S,2S)-2-[bis(phenylMethyl)aMino]cyclohexyl]-N’-[3,5-bis(trifluoroMethyl)phenyl]-Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72653751.gif)
![CAS 1233369-41-9 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1S,2S)-2-(diMethylaMino)-1,2-diphenylethyl]-Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02570501.gif)
