CAS RN: 1572414-83-5
ML-323
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250708 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260615 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250413 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251116 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250405 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20260620 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250909 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260201 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250608 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-066320
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1572414-83-5 / 5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
Basic Information
CAS
1572414-83-5
Multi CAS
No
Molecular Formula
C23H24N6
Molecular Weight
384.500000
Exact Mass
384.206245
SMILES
CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C
InChI
InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
InChIKey
VUIRVWPJNKZOSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
23
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
114.98
TPSA
68.52
LogP / Solubility
WLOGP
4.77
MLOGP
4.22
XLogP3
4.6
Consensus LogP
4.53
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1573000-33-5 [1,1′-Biphenyl]-4-propanol, β-amino-, (βR)- (hydrochloride) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1573000-33-5.gif)