![CAS 18987-71-8 Di-μ-chlorobis[2-[(dimethylamino)methyl]-4,6-dimethoxyphenyl-C,N]dipalladium(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4112-jpgcontextbwfzdgvyfhjvb3r8nduyotb8aw1hz2uvanblz3xondyvaduwlzg5mzaymzk2ndm2nzgvrdqxmtiuanbnfdhimgexmgvmnjbkymzizmyynddin2eznzczmmy2yzvmzdazm2ixogviyzm5nmm3mjc1oddimduymtflnjc2njm.jpeg)
CAS RN: 18987-71-8
Di-μ-chlorobis[2-[(dimethylamino)methyl]-4,6-dimethoxyphenyl-C,N]dipalladium(II)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTD4112
- Purity/Analytical Methods: >98.0%(T)
18987-71-8 / dichloroniopalladium;bis(1-(3,5-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine);palladium
Basic Information
CAS
18987-71-8
Multi CAS
No
Molecular Formula
C22H34Cl2N2O4Pd2
Molecular Weight
674.300000
Exact Mass
673.996940
SMILES
CN(C)CC1=[C-]C(=CC(=C1)OC)OC.CN(C)CC1=[C-]C(=CC(=C1)OC)OC.[ClH+][Pd][ClH+].[Pd]
InChI
InChI=1S/2C11H16NO2.2ClH.2Pd/c2*1-12(2)8-9-5-10(13-3)7-11(6-9)14-4;;;;/h2*5,7H,8H2,1-4H3;2*1H;;/q2*-1;;;;+2
InChIKey
KMCZAHZAAFWMFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
114.34
TPSA
43.4
LogP / Solubility
WLOGP
2.59
MLOGP
2.34
XLogP3
2.59
Consensus LogP
2.51
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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