![CAS 1621182-04-4 Chloro[(1,2,3,4,5,6-η)-2,2”,4,4”,6,6”-hexamethyl[1,1′:3′,1”-terphenyl]-2′-thiolato-κS][triisopropylphosphine-κP]ruthenium(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c3327-jpgcontextbwfzdgvyfhjvb3r8nde0njv8aw1hz2uvanblz3xon2evage4lzg5mjk2nzi4odgzntavqzmzmjcuanbnfdywmjq2ztewmzzkzdc4yzk3ytvlm2m3ywfkzjc5nwyymjhkote5ywrmyzi2yjg4owm2ngvimzlhzdyyzwzjytm.jpeg)
CAS RN: 1621182-04-4
Chloro[(1,2,3,4,5,6-η)-2,2”,4,4”,6,6”-hexamethyl[1,1′:3′,1”-terphenyl]-2′-thiolato-κS][triisopropylphosphine-κP]ruthenium(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.20260509 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTC3327
1621182-04-4 / 2,6-bis(2,4,6-trimethylphenyl)benzenethiolate;chlororuthenium(1+);tri(propan-2-yl)phosphane
Basic Information
CAS
1621182-04-4
Multi CAS
No
Molecular Formula
C33H46ClPRuS
Molecular Weight
642.300000
Exact Mass
642.178978
SMILES
CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)[S-])C.CC(C)P(C(C)C)C(C)C.Cl[Ru+]
InChI
InChI=1S/C24H26S.C9H21P.ClH.Ru/c1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6;1-7(2)10(8(3)4)9(5)6;;/h7-13,25H,1-6H3;7-9H,1-6H3;1H;/q;;;+2/p-2
InChIKey
OLQLCTCWEPROKL-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
169.55
TPSA
1.0000
LogP / Solubility
WLOGP
11.16
MLOGP
9.87
XLogP3
11.16
Consensus LogP
10.73
Log S (ESOL)
-10.88
Class (ESOL)
Insoluble
Log S (Ali)
-12.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.28
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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