CAS RN: 1203898-21-8
2-BroMo-4-chloro-5-(trifluoroMethyl)phenol
- Product code: SSC-021355
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1203898-21-8 / 2-bromo-4-chloro-5-(trifluoromethyl)phenol
2-bromo-4-chloro-5-(trifluoromethyl)phenol | 2-bromo-4-chloro-5-(trifluoromethyl)benzenol | MFCD14560534
Basic Information
CAS
1203898-21-8
Multi CAS
No
Molecular Formula
C7H3BrClF3O
Molecular Weight
275.450000
Exact Mass
273.900790
SMILES
C1=C(C(=CC(=C1O)Br)Cl)C(F)(F)F
InChI
InChI=1S/C7H3BrClF3O/c8-4-2-5(9)3(1-6(4)13)7(10,11)12/h1-2,13H
InChIKey
PLBFOFZIFTVEHV-UHFFFAOYSA-N
Synonyms
2-bromo-4-chloro-5-(trifluoromethyl)phenol
2-bromo-4-chloro-5-(trifluoromethyl)benzenol
MFCD14560534
SCHEMBL17744340
PLBFOFZIFTVEHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.82
TPSA
20.23
LogP / Solubility
WLOGP
3.83
MLOGP
3.38
XLogP3
3.8
Consensus LogP
3.67
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1204085-48-2 N-(2-(2-Azidoethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204085-48-2.gif)
