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: 5g, 10g, 25g, 100g, 500g
- Available purity: tech. 70%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 5g | tech. 70% | 5 In Stock | Beijing | Inquiry |
| 10g | tech. 70% | 5 In Stock | Shanghai | Inquiry |
| 25g | tech. 70% | 5 In Stock | Shanghai | Inquiry |
| 100g | tech. 70% | 4 In Stock | Shanghai | Inquiry |
| 500g | tech. 70% | 0 Out of Stock | Shenzhen | Inquiry |
37746-78-4 / ethyl 4-bromobut-2-enoate
Basic Information
CAS
37746-78-4
Multi CAS
Yes
Molecular Formula
C6H9BRO2
Molecular Weight
193.040000
Exact Mass
191.978590
InChI
InChI=1S/C6H9BrO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3/b4-3+
InChIKey
FHGRPBSDPBRTLS-ONEGZZNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
39.57
TPSA
26.3
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.5
Consensus LogP
1.44
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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(2E)-4,4-Difluoro-2-butenoic acid ethyl ester
- CAS RN: 37746-82-0
- Product Code: SSC-145181
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4-[(4-BROMOPHENYL)THIO]ANILINE HYDROCHLORIDE
- CAS RN: 37750-33-7
- Product Code: starshine_CAS37750-33-7
- Purity/Analytical method: >99.0%
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![CAS 37750-33-7 4-[(4-BROMOPHENYL)THIO]ANILINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/37750-33-7.gif)
