CAS RN: 1952356-60-3
Methyl 4-Bromo-2-fluoro-5-methylphenylacetate
- Product code: SSC-092095
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 5g, 10g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 4 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 3 In Stock | Beijing | Inquiry |
| 1g | >95% | 3 In Stock | Shanghai | Inquiry |
1952356-60-3 / methyl 2-(4-bromo-2-fluoro-5-methylphenyl)acetate
Basic Information
CAS
1952356-60-3
Multi CAS
No
Molecular Formula
C10H10BrFO2
Molecular Weight
261.090000
Exact Mass
259.984820
SMILES
CC1=CC(=C(C=C1Br)F)CC(=O)OC
InChI
InChI=1S/C10H10BrFO2/c1-6-3-7(4-10(13)14-2)9(12)5-8(6)11/h3,5H,4H2,1-2H3
InChIKey
FKTJIHHOCPOUQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.56
TPSA
26.3
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
2.9
Consensus LogP
2.61
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-5-YLBORONIC ACID
- CAS RN: 1953127-57-5
- Product Code: SSC-092120
-
N-(trans-3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
- CAS RN: 1953130-87-4
- Product Code: starshine_CAS1953130-87-4
- Purity/Analytical method: >99.0%
-
2-(1-(4-fluorophenyl)cyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 1953178-20-5
- Product Code: SSC-092129
-
(3S)-1-Phenylpyrrolidin-3-amine hydrochloride
- CAS RN: 1955474-17-5
- Product Code: starshine_CAS1955474-17-5
- Purity/Analytical method: >99.0%
-
(1R)-1-(PYRAZIN-2-YL)ETHAN-1-AMINE DIHYDROCHLORIDE
- CAS RN: 1955474-33-5
- Product Code: SSC-092223
.gif)
![CAS 1953130-87-4 N-(trans-3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1953130-87-4.gif)
