![CAS 250159-48-9 (SP-4-2)-[(1R,2R)-1,2-Cyclohexanediamine-kN,kN’]bis(tetradecanoato-kO)platinum monohydrate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/250159-48-9.gif)
CAS RN: 250159-48-9
(SP-4-2)-[(1R,2R)-1,2-Cyclohexanediamine-kN,kN’]bis(tetradecanoato-kO)platinum monohydrate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260318 | 5mg / 10mg / 50mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS250159-48-9
- Purity/Analytical Methods: >99.0%
250159-48-9 / platinum(2+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;hydrate
Basic Information
CAS
250159-48-9
Multi CAS
No
Molecular Formula
C34H70N2O5Pt
Molecular Weight
782.000000
Exact Mass
781.493268
SMILES
CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].C1CC[C@H]([C@@H](C1)N)N.O.[Pt+2]
InChI
InChI=1S/2C14H28O2.C6H14N2.H2O.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;;/h2*2-13H2,1H3,(H,15,16);5-6H,1-4,7-8H2;1H2;/q;;;;+2/p-2/t;;5-,6-;;/m..1../s1
InChIKey
LWDBMUAJGMXQAY-GSEQGPDBSA-L
Computed Properties
Structural Parameters
Heavy atom count
42
Fraction Csp3
0.94
Rotatable bonds
24
H-bond acceptors
6
H-bond donors
2
Molar refractivity
170.2
TPSA
163.8
LogP / Solubility
WLOGP
6.26
MLOGP
5.58
XLogP3
6.26
Consensus LogP
6.03
Log S (ESOL)
-7.05
Class (ESOL)
Insoluble
Log S (Ali)
-10.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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