CAS RN: 486994-11-0
2-(5-BROMO-2-ETHOXY-4-FORMYLPHENOXY)ACETAMIDE
- Product code: SSC-155357
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
486994-11-0 / 2-(5-bromo-2-ethoxy-4-formylphenoxy)acetamide
Basic Information
CAS
486994-11-0
Multi CAS
No
Molecular Formula
BC11H12O4Rn
Molecular Weight
302.120000
Exact Mass
300.994970
InChI
InChI=1S/C11H12BrNO4/c1-2-16-9-3-7(5-14)8(12)4-10(9)17-6-11(13)15/h3-5H,2,6H2,1H3,(H2,13,15)
InChIKey
PBNVPCXTYOOKSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.39
TPSA
78.62
LogP / Solubility
WLOGP
1.52
MLOGP
1.35
XLogP3
1.3
Consensus LogP
1.39
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
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
Customers Also Viewed
-
-
N-(12-Cyanindolizino[2,3-b]quinoxalin-2-yl)-2-thiophenecarboxaMide
- CAS RN: 487020-03-1
- Product Code: starshine_CAS487020-03-1
- Purity/Analytical method: >99.0%
-
-
FMoc-L-2,3-diaMinopropionic acid hydrochloride
- CAS RN: 487027-89-4
- Product Code: starshine_CAS487027-89-4
- Purity/Analytical method: >99.0%
-
3-(4-NITRO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 487034-01-5
- Product Code: SSC-155380
-
![CAS 487020-03-1 N-(12-Cyanindolizino[2,3-b]quinoxalin-2-yl)-2-thiophenecarboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/487020-03-1.gif)
