![CAS 1314876-23-7 PalladiuM, [1,3-bis[2,6-bis(1-Methylethyl)phenyl]-1,3-dihydro-2H-iMidazol-2-ylidene]dichloro(1-Methyl-1H-iMidazole-kN3)-, (SP-4-1)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1314876-23-7.gif)
CAS RN: 1314876-23-7
PalladiuM, [1,3-bis[2,6-bis(1-Methylethyl)phenyl]-1,3-dihydro-2H-iMidazol-2-ylidene]dichloro(1-Methyl-1H-iMidazole-kN3)-, (SP-4-1)-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260301 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250502 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20251211 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251011 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250322 | 5g | Out of stock | Inquiry |
- Product code: SSC-038495
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 |
1314876-23-7 / methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[methyl-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]amino]oxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Basic Information
CAS
1314876-23-7
Multi CAS
No
Molecular Formula
C55H87NO22
Molecular Weight
1114.300000
Exact Mass
1113.571973
SMILES
C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)OC)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N(C)C[C@@]4([C@H]([C@@H]([C@@H](CO4)O)O)O)O)O
InChI
InChI=1S/C55H87NO22/c1-31-19-17-15-13-11-9-7-8-10-12-14-16-18-20-38(77-53-50(68)46(48(66)34(4)76-53)56(5)30-55(72)51(69)49(67)42(63)29-74-55)26-43-45(52(70)73-6)41(62)28-54(71,78-43)27-37(59)24-40(61)39(60)22-21-35(57)23-36(58)25-44(64)75-33(3)32(2)47(31)65/h7-20,31-43,45-51,53,57-63,65-69,71-72H,21-30H2,1-6H3/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41-,42+,43-,45+,46-,47+,48+,49+,50-,51-,53-,54+,55+/m0/s1
InChIKey
YTNDZPWJWHXCJL-DMJFHGPESA-N
Computed Properties
Structural Parameters
Heavy atom count
78
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
23
H-bond donors
14
Molar refractivity
278.74
TPSA
375.98
LogP / Solubility
WLOGP
-1.43
MLOGP
-1.14
XLogP3
0.7
Consensus LogP
-0.62
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-10.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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]
H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, 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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