CAS RN: 923289-30-9
Ethanone,1-(2-amino-3-bromo-4-methoxyphenyl)-
- Product code: SSC-205972
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
923289-30-9 / 1-(2-amino-3-bromo-4-methoxyphenyl)ethanone
Basic Information
CAS
923289-30-9
Multi CAS
No
Molecular Formula
BC9H10O2Rn
Molecular Weight
244.080000
Exact Mass
242.989490
InChI
InChI=1S/C9H10BrNO2/c1-5(12)6-3-4-7(13-2)8(10)9(6)11/h3-4H,11H2,1-2H3
InChIKey
IWIPLJLNRFDOQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.11
TPSA
52.32
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
2.1
Consensus LogP
2.11
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
1-Piperazinecarboxylic acid, 4-[[4-(2-Methoxy-2-oxoethyl)phenyl]Methyl]-2-Methyl-, 1,1-diMethylethyl ester, (2S)-
- CAS RN: 923565-72-4
- Product Code: starshine_CAS923565-72-4
- Purity/Analytical method: >99.0%
-
-
![CAS 923565-72-4 1-Piperazinecarboxylic acid, 4-[[4-(2-Methoxy-2-oxoethyl)phenyl]Methyl]-2-Methyl-, 1,1-diMethylethyl ester, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/923565-72-4.gif)
