CAS RN: 135558-11-1
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9 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250515 | 1ml | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260206 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250421 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251201 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260329 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260111 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250516 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250524 | 50mg | In stock | Shenzhen | Inquiry | |
| Batchno.20251029 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS135558-11-1
- Purity/Analytical Methods: >99.0%
135558-11-1 / [(1R,2R)-2-(aminomethyl)cyclobutyl]methanamine;(2S)-2-oxidopropanoate;platinum(2+)
Basic Information
CAS
135558-11-1
Multi CAS
No
Molecular Formula
C9H18N2O3Pt
Molecular Weight
397.330000
Exact Mass
397.096537
SMILES
C[C@@H](C(=O)[O-])[O-].C1C[C@H]([C@@H]1CN)CN.[Pt+2]
InChI
InChI=1S/C6H14N2.C3H5O3.Pt/c7-3-5-1-2-6(5)4-8;1-2(4)3(5)6;/h5-6H,1-4,7-8H2;2H,1H3,(H,5,6);/q;-1;+2/p-1/t5-,6-;2-;/m00./s1
InChIKey
RLXPIABKJFUYFG-DOYDWZMXSA-M
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
48.79
TPSA
115.23
LogP / Solubility
WLOGP
-2.59
MLOGP
-2.25
XLogP3
-2.59
Consensus LogP
-2.48
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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