CAS RN: 223769-64-0

HydroxystilbaMidine bis(Methanesulfonate) [Know as FluoroGold(TM), TM of FluorochroMe]

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250802 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS223769-64-0
  • Purity/Analytical Methods: >99.0%
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223769-64-0 / 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide;methanesulfonic acid

Standard CAS: 223769-64-0 Multi CAS: No

Basic Information

CAS
223769-64-0
Multi CAS
No
Molecular Formula
C18H24N4O7S2
Molecular Weight
472.500000
Exact Mass
472.108641
SMILES
CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1/C=C/C2=C(C=C(C=C2)C(=N)N)O)C(=N)N
InChI
InChI=1S/C16H16N4O.2CH4O3S/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21;2*1-5(2,3)4/h1-9,21H,(H3,17,18)(H3,19,20);2*1H3,(H,2,3,4)/b4-1+;;
InChIKey
YGNSQKCULHSJDC-HFPMQDOPSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
7
Molar refractivity
120.45
TPSA
228.71

LogP / Solubility

WLOGP
1.14
MLOGP
1.03
XLogP3
1.14
Consensus LogP
1.1
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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