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CAS 148741-30-4 Tyrphostin AG 879 molecular structure lightbox
CAS RN: 148741-30-4

Tyrphostin AG 879

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8 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250203 100mg Out of stock Inquiry
Batchno.20250814 10mg In stock Shanghai Inquiry
Batchno.20250316 1g Out of stock Inquiry
Batchno.20251212 1mg In stock Shanghai Inquiry
Batchno.20260409 250mg Out of stock Inquiry
Batchno.20260412 25mg In stock Shanghai Inquiry
Batchno.20260126 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 1ml In stock Inquiry
  • Product code: ICTT3696
  • Purity/Analytical Methods: >98.0%(HPLC)
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148741-30-4 / (E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enethioamide

Standard CAS: 148741-30-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
148741-30-4
Multi CAS
No
Molecular Formula
C18H24N2OS
Molecular Weight
316.500000
Exact Mass
316.160935
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/C(=S)N
InChI
InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+
InChIKey
XRZYELWZLNAXGE-KPKJPENVSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
95.88
TPSA
70.04

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
4.7
Consensus LogP
4.19
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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