![CAS 724453-98-9 N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N’-(3,4-dichlorophenyl)urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/724453-98-9.gif)
CAS RN: 724453-98-9
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N’-(3,4-dichlorophenyl)urea
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260513 | 100mg | In stock | Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20250815 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250711 | 25mg / 50mg / 100mg / 500mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260322 | 50mg | In stock | Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS724453-98-9
- Purity/Analytical Methods: >99.0%
724453-98-9 / 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3,4-dichlorophenyl)urea
Basic Information
CAS
724453-98-9
Multi CAS
No
Molecular Formula
C22H17CL2N3O2S
Molecular Weight
458.400000
Exact Mass
457.041853
InChI
InChI=1S/C22H17Cl2N3O2S/c1-13-10-15(29-12-21-26-19-4-2-3-5-20(19)30-21)7-9-18(13)27-22(28)25-14-6-8-16(23)17(24)11-14/h2-11H,12H2,1H3,(H2,25,27,28)
InChIKey
FGXLEECGXSDIMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
124.23
TPSA
63.25
LogP / Solubility
WLOGP
7.13
MLOGP
6.31
XLogP3
6.1
Consensus LogP
6.51
Log S (ESOL)
-7.36
Class (ESOL)
Insoluble
Log S (Ali)
-8.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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