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CAS 1919884-90-4 Bromodicarbonyl[bis[2-(diisopropylphosphino)ethyl]amine]manganese(I) molecular structure lightbox
CAS RN: 1919884-90-4

Bromodicarbonyl[bis[2-(diisopropylphosphino)ethyl]amine]manganese(I)

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250709 100mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260628 10mg In stock Shanghai, Hebei Inquiry
Batchno.20251221 50mg In stock Shanghai Inquiry
  • Product code: ICTB5670
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1919884-90-4 / carbon monoxide;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;manganese;bromide

Standard CAS: 1919884-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1919884-90-4
Multi CAS
No
Molecular Formula
C18H37BrMnNO2P2-
Molecular Weight
496.300000
Exact Mass
495.086330
SMILES
CC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[Mn].[Br-]
InChI
InChI=1S/C16H37NP2.2CO.BrH.Mn/c1-13(2)18(14(3)4)11-9-17-10-12-19(15(5)6)16(7)8;2*1-2;;/h13-17H,9-12H2,1-8H3;;;1H;/p-1
InChIKey
WNPCAOHZTVTHFM-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.89
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
104.85
TPSA
51.83

LogP / Solubility

WLOGP
2.1
MLOGP
1.88
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.26

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

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