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CAS 118409-57-7 Tyrphostin A23 molecular structure lightbox
CAS RN: 118409-57-7

Tyrphostin A23

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260219 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
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Batchno.20250131 1ml In stock Inquiry
  • Product code: ICTT3503
  • Purity/Analytical Methods: >98.0%(GC)
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118409-57-7 / 2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile

Tyrphostin 23 | Tyrphostin A23 | AG 18

Standard CAS: 118409-57-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118409-57-7
Multi CAS
Yes
Molecular Formula
C10H6N2O2
Molecular Weight
186.170000
Exact Mass
186.042927
SMILES
C1=CC(=C(C=C1C=C(C#N)C#N)O)O
InChI
InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H
InChIKey
VTJXFTPMFYAJJU-UHFFFAOYSA-N
Synonyms
Tyrphostin 23 Tyrphostin A23 AG 18 AG-18 Tyrphostin AG18

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.97
TPSA
88.04

LogP / Solubility

WLOGP
1.53
MLOGP
1.34
XLogP3
1.3
Consensus LogP
1.39
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P264, P270, P308+P316, P319, P405, and P501

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