CAS RN: 864725-60-0
3-(4-bromo-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole
- Product code: SSC-195546
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
864725-60-0 / 3-(4-bromo-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
Basic Information
CAS
864725-60-0
Multi CAS
No
Molecular Formula
C17H11BRCL2F3NO
Molecular Weight
453.100000
Exact Mass
450.935320
InChI
InChI=1S/C17H11BrCl2F3NO/c1-9-4-10(2-3-14(9)18)15-8-16(25-24-15,17(21,22)23)11-5-12(19)7-13(20)6-11/h2-7H,8H2,1H3
InChIKey
CAUGMFYASUZURF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
95.31
TPSA
21.59
LogP / Solubility
WLOGP
6.65
MLOGP
5.88
XLogP3
6.6
Consensus LogP
6.38
Log S (ESOL)
-7.06
Class (ESOL)
Insoluble
Log S (Ali)
-8.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
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)
-0.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 864725-62-2 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid
- CAS RN: 864725-62-2
- Product Code: SSC-195547
-
-
4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzoic acid methyl ester
- CAS RN: 864736-32-3
- Product Code: SSC-195550
-
1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene
- CAS RN: 864736-87-8
- Product Code: SSC-195551
-
-
N-[2-(Dimethylamino)ethyl]-N-[[4′-[[(2-phenylethyl)amino]methyl][1,1′-biphenyl]-4-yl]methyl]-cyclopentanepropanamide dihydrochloride
- CAS RN: 864741-95-7
- Product Code: starshine_CAS864741-95-7
- Purity/Analytical method: >99.0%
![CAS 864725-62-2 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864725-62-2.gif)
![CAS 864736-32-3 4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzoic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864736-32-3.gif)
![CAS 864741-95-7 N-[2-(Dimethylamino)ethyl]-N-[[4′-[[(2-phenylethyl)amino]methyl][1,1′-biphenyl]-4-yl]methyl]-cyclopentanepropanamide dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864741-95-7.gif)