![CAS 92669-43-7 Carbonyl[5,10,15,20-tetrakis(2,4,6-triMethylphenyl)-21H,23H-porphinato]rutheniuM(II), Min. 98% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92669-43-7.gif)
CAS RN: 92669-43-7
Carbonyl[5,10,15,20-tetrakis(2,4,6-triMethylphenyl)-21H,23H-porphinato]rutheniuM(II), Min. 98%
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS92669-43-7
- Purity/Analytical Methods: >99.0%
92669-43-7 / carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diide
Basic Information
CAS
92669-43-7
Multi CAS
Yes
Molecular Formula
C57H52N4ORu
Molecular Weight
910.100000
Exact Mass
910.318453
InChI
InChI=1S/C56H52N4.CO.Ru/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10;1-2;/h13-28H,1-12H3;;/q-2;;+2
InChIKey
DBJPDELWNWMIRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
63
Aromatic heavy atom count
44
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
259.31
TPSA
73.88
LogP / Solubility
WLOGP
14.24
MLOGP
12.62
XLogP3
14.24
Consensus LogP
13.7
Log S (ESOL)
-14.71
Class (ESOL)
Insoluble
Log S (Ali)
-17.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.88
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)
1.84
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
10
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