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CAS 929896-28-6 Bis(acetato)aqua[(S,S)-4,6-bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene]rhodium molecular structure lightbox
CAS RN: 929896-28-6

Bis(acetato)aqua[(S,S)-4,6-bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene]rhodium

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260604 10mg Out of stock 8-10 business days Inquiry
  • Product code: ICTB4195
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929896-28-6 / (4S)-2-[2,4-dimethyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-6-id-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;rhodium(3+);diacetate;hydrate

Standard CAS: 929896-28-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
929896-28-6
Multi CAS
Yes
Molecular Formula
C24H35N2O7Rh
Molecular Weight
566.400000
Exact Mass
566.149920
InChI
InChI=1S/C20H27N2O2.2C2H4O2.H2O.Rh/c1-11(2)17-9-23-19(21-17)15-8-16(14(6)7-13(15)5)20-22-18(10-24-20)12(3)4;2*1-2(3)4;;/h7,11-12,17-18H,9-10H2,1-6H3;2*1H3,(H,3,4);1H2;/q-1;;;;+3/p-2/t17-,18-;;;;/m1..../s1
InChIKey
OQNBPDKKWBPKGQ-VKBKZCJQSA-L

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
121.96
TPSA
154.94

LogP / Solubility

WLOGP
0.39
MLOGP
0.39
XLogP3
0.39
Consensus LogP
0.39
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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