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CAS 203192-01-2 MN58b molecular structure lightbox
CAS RN: 203192-01-2

MN58b

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7 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250622 25mg / 100mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260405 100mg In stock Shenzhen Inquiry
Batchno.20260326 10mg In stock Shanghai Inquiry
Batchno.20250401 1mg In stock Shanghai Inquiry
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Batchno.20260306 50mg Out of stock Inquiry
Batchno.20250317 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS203192-01-2
  • Purity/Analytical Methods: >99.0%
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203192-01-2 / 1-[[4-[4-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]butyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dibromide

Standard CAS: 203192-01-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203192-01-2
Multi CAS
No
Molecular Formula
C32H40Br2N4
Molecular Weight
640.500000
Exact Mass
640.159920
SMILES
CN(C)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)CCCCC3=CC=C(C=C3)C[N+]4=CC=C(C=C4)N(C)C.[Br-].[Br-]
InChI
InChI=1S/C32H40N4.2BrH/c1-33(2)31-17-21-35(22-18-31)25-29-13-9-27(10-14-29)7-5-6-8-28-11-15-30(16-12-28)26-36-23-19-32(20-24-36)34(3)4;;/h9-24H,5-8,25-26H2,1-4H3;2*1H/q+2;;/p-2
InChIKey
YLHINOUDZGYMNO-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.31
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
149.66
TPSA
14.24

LogP / Solubility

WLOGP
-0.94
MLOGP
-0.77
XLogP3
-0.94
Consensus LogP
-0.88
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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