CAS RN: 875479-34-8
(1S,2S)-ethyl 2-(4-bromophenyl)cyclopropanecarboxylate
- Product code: SSC-197655
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: 1g, 5g, 0.05g, 0.1g, 0.25g
- Available purity: >98%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 4 In Stock | Beijing | Inquiry |
| 0.05g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.05g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 2 In Stock | Beijing | Inquiry |
| 0.1g | >98% | 2 In Stock | Beijing | Inquiry |
| 0.25g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
875479-34-8 / trans-ethyl (1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxylate
Basic Information
CAS
875479-34-8
Multi CAS
Yes
Molecular Formula
C12H13BRO2
Molecular Weight
269.130000
Exact Mass
268.009890
InChI
InChI=1S/C12H13BrO2/c1-2-15-12(14)11-7-10(11)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7H2,1H3/t10-,11+/m1/s1
InChIKey
RAFFPNRMOQNLAA-MNOVXSKESA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
61.62
TPSA
26.3
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3
Consensus LogP
2.96
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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