CAS RN: 1226056-71-8
Thiazovivin
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251118 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS1226056-71-8
- Purity/Analytical Methods: >99.0%
1226056-71-8 / N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
Basic Information
CAS
1226056-71-8
Multi CAS
No
Molecular Formula
C15H13N5OS
Molecular Weight
311.400000
Exact Mass
311.084081
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)NC3=NC=NC=C3
InChI
InChI=1S/C15H13N5OS/c21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20)
InChIKey
DOBKQCZBPPCLEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
85.04
TPSA
79.8
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
2.5
Consensus LogP
2.47
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
Customers Also Viewed
-
![CAS 1226070-17-2 5-bromo-7-chloro-2-methylbenzo[d]oxazole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-bromo-7-chloro-2-methylbenzo[d]oxazole
- CAS RN: 1226070-17-2
- Product Code: starshine_CAS1226070-17-2
- Purity/Analytical method: >99.0%
-
6-(3,5-Difluorophenyl)picolinic acid
- CAS RN: 1226098-50-5
- Product Code: starshine_CAS1226098-50-5
- Purity/Analytical method: >99.0%
-
-
-
3-(2-fluorophenyl)-2,2-diMethylpropanoic acid
- CAS RN: 1226161-12-1
- Product Code: SSC-025659
-
2-(2-Methoxyphenyl)-isonicotinic acid
- CAS RN: 1226205-64-6
- Product Code: starshine_CAS1226205-64-6
- Purity/Analytical method: >99.0%
![CAS 1226070-17-2 5-bromo-7-chloro-2-methylbenzo[d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226070-17-2.gif)
