[email protected]
CAS 118409-58-8 TYRPHOSTIN A25 molecular structure lightbox
CAS RN: 118409-58-8

TYRPHOSTIN A25

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260113 100mg In stock Shanghai Inquiry
Batchno.20250622 250mg In stock Shanghai Inquiry
Batchno.20250724 25mg In stock Shanghai Inquiry
Batchno.20260330 50mg In stock Shanghai Inquiry
Batchno.20250924 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS118409-58-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

118409-58-8 / 2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile

Tyrphostin 25 | Tyrphostin A25 | Tyrphostin-25

Standard CAS: 118409-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118409-58-8
Multi CAS
No
Molecular Formula
C10H6N2O3
Molecular Weight
202.170000
Exact Mass
202.037842
SMILES
C1=C(C=C(C(=C1O)O)O)C=C(C#N)C#N
InChI
InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
InChIKey
YZOFLYUAQDJWKV-UHFFFAOYSA-N
Synonyms
Tyrphostin 25 Tyrphostin A25 Tyrphostin-25 AG-82 RG-50875

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
50.64
TPSA
108.27

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-3.08

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us