CAS RN: 125404-04-8
TCN 238
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260505 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS125404-04-8
- Purity/Analytical Methods: >99.0%
125404-04-8 / 4-[(E)-2-phenylethenyl]pyrimidin-2-amine
Basic Information
CAS
125404-04-8
Multi CAS
No
Molecular Formula
C12H11N3
Molecular Weight
197.240000
Exact Mass
197.095297
SMILES
C1=CC=C(C=C1)/C=C/C2=NC(=NC=C2)N
InChI
InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+
InChIKey
LNUXNUNUGIHCPA-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.81
TPSA
51.8
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-S-Ethyl 2,3,4,6-tetra-O-benzyl-b-D-thiogalactopyranoside
- CAS RN: 125411-99-6
- Product Code: starshine_CAS125411-99-6
- Purity/Analytical method: >99.0%
-
-
Hydroxyethylanisol
- CAS RN: 125418-72-6
- Product Code: starshine_CAS125418-72-6
- Purity/Analytical method: >99.0%
-
(2-formylphenoxy)acetonitrile(SALTDATA: FREE)
- CAS RN: 125418-83-9
- Product Code: SSC-030164
-
2-(4-chloro-2-formylphenoxy)acetonitrile
- CAS RN: 125418-96-4
- Product Code: starshine_CAS125418-96-4
- Purity/Analytical method: >99.0%
-
