![CAS 66192-11-8 Propanedioic acid, [(2-bromophenyl)methyl]-, diethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/66192-11-8.png)
CAS RN: 66192-11-8
Propanedioic acid, [(2-bromophenyl)methyl]-, diethyl ester
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260130 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-175827
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 | Beijing | Inquiry |
66192-11-8 / diethyl 2-[(2-bromophenyl)methyl]propanedioate
Basic Information
CAS
66192-11-8
Multi CAS
No
Molecular Formula
C14H17BRO4
Molecular Weight
329.190000
Exact Mass
328.031020
InChI
InChI=1S/C14H17BrO4/c1-3-18-13(16)11(14(17)19-4-2)9-10-7-5-6-8-12(10)15/h5-8,11H,3-4,9H2,1-2H3
InChIKey
GTTUKNWHBBEELY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
74.6
TPSA
52.6
LogP / Solubility
WLOGP
2.73
MLOGP
2.42
XLogP3
3.5
Consensus LogP
2.88
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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