![CAS 839713-36-9 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/839713-36-9.gif)
CAS RN: 839713-36-9
1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260328 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS839713-36-9
- Purity/Analytical Methods: >99.0%
839713-36-9 / 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
Basic Information
CAS
839713-36-9
Multi CAS
No
Molecular Formula
BC18H15N4O2Rf2
Molecular Weight
437.200000
Exact Mass
436.034640
InChI
InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)
InChIKey
COSPVUFTLGQDQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
101.9
TPSA
68.18
LogP / Solubility
WLOGP
4.78
MLOGP
4.24
XLogP3
3.3
Consensus LogP
4.11
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
1-Isopropylpyrazole-5-boronic Acid
- CAS RN: 839714-33-9
- Product Code: starshine_CAS839714-33-9
- Purity/Analytical method: >99.0%
-
Chloro[1,3-bis(t-butyl)-2H-imidazol-2-ylidene]gold(I)
- CAS RN: 839722-07-5
- Product Code: starshine_CAS839722-07-5
- Purity/Analytical method: >99.0%
-
MCA-GLY-LYS-PRO-ILE-LEU-PHE-PHE-ARG-LEU-LYS(DNP)-D-ARG-NH2
- CAS RN: 839730-93-7
- Product Code: starshine_CAS839730-93-7
- Purity/Analytical method: >99.0%
-
(3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine
- CAS RN: 840454-58-2
- Product Code: SSC-191660
-
-
![CAS 839722-07-5 Chloro[1,3-bis(t-butyl)-2H-imidazol-2-ylidene]gold(I) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/839722-07-5.gif)
![CAS 840454-58-2 (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/840454-58-2.gif)
