CAS RN: 280570-45-8
VUF 5574
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250511 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS280570-45-8
- Purity/Analytical Methods: >99.0%
280570-45-8 / 1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea
Basic Information
CAS
280570-45-8
Multi CAS
No
Molecular Formula
C21H17N5O2
Molecular Weight
371.400000
Exact Mass
371.138225
InChI
InChI=1S/C21H17N5O2/c1-28-18-11-5-4-10-17(18)24-21(27)26-20-15-8-2-3-9-16(15)23-19(25-20)14-7-6-12-22-13-14/h2-13H,1H3,(H2,23,24,25,26,27)
InChIKey
YRAFEJSZTVWUMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
108.4
TPSA
89.03
LogP / Solubility
WLOGP
4.34
MLOGP
3.84
XLogP3
3
Consensus LogP
3.73
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
-
A 286982
- CAS RN: 280749-17-9
- Product Code: starshine_CAS280749-17-9
- Purity/Analytical method: >99.0%
-
-
(6-BROMO-2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)METHANOL
- CAS RN: 280752-78-5
- Product Code: SSC-128753
![CAS 280752-78-5 (6-BROMO-2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/280752-78-5.png)