[email protected]
CAS 115453-99-1 CB-7921220 molecular structure lightbox
CAS RN: 115453-99-1

CB-7921220

Product Availability

Choose a grade to view its available package options.

4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 2mg / 5mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 10mg Out of stock Inquiry
Batchno.20251226 25mg Out of stock Inquiry
Batchno.20251009 5mg Out of stock Inquiry
  • Product code: starshine_CAS115453-99-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

115453-99-1 / 6-[(E)-2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic acid

6-(4-Aminostyryl)picolinic acid | 6-[(1E)-2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic acid | 6-[2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic Acid

Standard CAS: 115453-99-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115453-99-1
Multi CAS
Yes
Molecular Formula
C14H12N2O2
Molecular Weight
240.260000
Exact Mass
240.089878
SMILES
C1=CC(=NC(=C1)C(=O)O)/C=C/C2=CC=C(C=C2)N
InChI
InChI=1S/C14H12N2O2/c15-11-7-4-10(5-8-11)6-9-12-2-1-3-13(16-12)14(17)18/h1-9H,15H2,(H,17,18)/b9-6+
InChIKey
QASPDWZDKLUOPO-RMKNXTFCSA-N
Synonyms
6-(4-Aminostyryl)picolinic acid 6-[(1E)-2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic acid 6-[2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic Acid 6-[(E)-2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic acid orb1308489

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.98
TPSA
76.21

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us