CAS RN: 1370256-78-2
1-(5-(7-(3-morpholinopropoxy)quinazolin-4-ylthio)-1,3,4-thiadiazol-2-yl)-3-p-tolylurea
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260522 | 10mg / 25mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1370256-78-2
- Purity/Analytical Methods: >99.0%
1370256-78-2 / 1-(4-methylphenyl)-3-[5-[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazol-2-yl]urea
Basic Information
CAS
1370256-78-2
Multi CAS
No
Molecular Formula
C25H27N7O3S2
Molecular Weight
537.700000
Exact Mass
537.161680
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SC3=NC=NC4=C3C=CC(=C4)OCCCN5CCOCC5
InChI
InChI=1S/C25H27N7O3S2/c1-17-3-5-18(6-4-17)28-23(33)29-24-30-31-25(37-24)36-22-20-8-7-19(15-21(20)26-16-27-22)35-12-2-9-32-10-13-34-14-11-32/h3-8,15-16H,2,9-14H2,1H3,(H2,28,29,30,33)
InChIKey
LKXFSTAQMOENSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
21
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
10
H-bond donors
2
Molar refractivity
144.76
TPSA
114.39
LogP / Solubility
WLOGP
4.69
MLOGP
4.16
XLogP3
4
Consensus LogP
4.28
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67
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
5
Customers Also Viewed
-
4-(3-(2H-1,2,3-Triazo-2-yl)phenylaMino)-2-((1R,2S)-2-aMinocyclohexylaMino) pyriMidine-5-carboxaMide
- CAS RN: 1370261-96-3
- Product Code: starshine_CAS1370261-96-3
- Purity/Analytical method: >99.0%
-
-
23-O-β-D-glucopyranosyl-3β,12β,25-trihydroxyl daMMar-(E)-20(22)-ene
- CAS RN: 1370264-16-6
- Product Code: starshine_CAS1370264-16-6
- Purity/Analytical method: >99.0%
-
3-Bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
- CAS RN: 1370287-43-6
- Product Code: starshine_CAS1370287-43-6
- Purity/Analytical method: >99.0%
-
-
![CAS 1370287-43-6 3-Bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1370287-43-6.gif)
