![CAS 18987-59-2 Di-μ-chlorobis[2-[(dimethylamino)methyl]phenyl-C,N]dipalladium(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d3847-jpgcontextbwfzdgvyfhjvb3r8ndcxmjb8aw1hz2uvanblz3xootkvadnhlzg5mzaymjuwotq2odyvrdm4ndcuanbnfdcyotbhyjjkzmnmmgzmogy1ymzkogezodcxmwiwmtk0mzdjmdblnjljzjflodc0zmmwmwy4mtazytdingrlodu.jpeg)
CAS RN: 18987-59-2
Di-μ-chlorobis[2-[(dimethylamino)methyl]phenyl-C,N]dipalladium(II)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-088938
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
18987-59-2 / bis(chloropalladium(1+));bis(N,N-dimethyl-1-phenylmethanamine)
Basic Information
CAS
18987-59-2
Multi CAS
No
Molecular Formula
C18H24Cl2N2Pd2
Molecular Weight
552.100000
Exact Mass
551.939030
SMILES
CN(C)CC1=CC=CC=[C-]1.CN(C)CC1=CC=CC=[C-]1.Cl[Pd+].Cl[Pd+]
InChI
InChI=1S/2C9H12N.2ClH.2Pd/c2*1-10(2)8-9-6-4-3-5-7-9;;;;/h2*3-6H,8H2,1-2H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKey
RYOPVFUGUFDYKP-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
97.04
TPSA
6.48
LogP / Solubility
WLOGP
4.47
MLOGP
3.98
XLogP3
4.47
Consensus LogP
4.31
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-7.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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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