CAS RN: 1644342-14-2
ML792
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251009 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250704 | 10mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260518 | 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250424 | 1g | Out of stock | Inquiry | |
| Batchno.20250323 | 250mg | In stock | Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251203 | 25mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250130 | 50mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251125 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-071883
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 |
1644342-14-2 / [(1R,2S,4R)-4-[[5-[1-[(3-bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
Basic Information
CAS
1644342-14-2
Multi CAS
No
Molecular Formula
C21H23BrN6O5S
Molecular Weight
551.400000
Exact Mass
550.063400
SMILES
C1[C@H](C[C@@H]([C@H]1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)Br
InChI
InChI=1S/C21H23BrN6O5S/c22-15-3-1-2-13(6-15)10-28-5-4-18(27-28)20(30)17-9-24-12-25-21(17)26-16-7-14(19(29)8-16)11-33-34(23,31)32/h1-6,9,12,14,16,19,29H,7-8,10-11H2,(H2,23,31,32)(H,24,25,26)/t14-,16-,19+/m1/s1
InChIKey
PZCKLTWSXFDLLP-OGWOLHLISA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
17
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
10
H-bond donors
3
Molar refractivity
126.14
TPSA
162.32
LogP / Solubility
WLOGP
1.49
MLOGP
1.35
XLogP3
2.3
Consensus LogP
1.71
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
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
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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