CAS RN: 864825-81-0
4-BROMO-3,5-DIMETHYL-BENZAMIDE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-195585
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
864825-81-0 / 4-bromo-3,5-dimethylbenzamide
Basic Information
CAS
864825-81-0
Multi CAS
No
Molecular Formula
BC9H10ORn
Molecular Weight
228.090000
Exact Mass
226.994580
InChI
InChI=1S/C9H10BrNO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
InChIKey
ATWMWAQQPBRPCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.13
TPSA
43.09
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 864825-84-3 2-Propenoic acid, 3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (2Z)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-Propenoic acid, 3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (2Z)-
- CAS RN: 864825-84-3
- Product Code: starshine_CAS864825-84-3
- Purity/Analytical method: >99.0%
-
-
(3R,4S)-1-Boc-4-amino-piperidine-3-carboxylic acid ethyl ester
- CAS RN: 864853-17-8
- Product Code: SSC-195593
-
-
5-Bromo-2-isopropyl-2,3-dihydro-isoindol-1-one
- CAS RN: 864866-47-7
- Product Code: starshine_CAS864866-47-7
- Purity/Analytical method: >99.0%
-
tert-Butyl 5-bromo-1-oxoisoindoline-2-carboxylate
- CAS RN: 864866-80-8
- Product Code: SSC-195595
![CAS 864825-84-3 2-Propenoic acid, 3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (2Z)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864825-84-3.gif)
![CAS 864866-44-4 7-Iodo-[1,2,4]triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864866-44-4.gif)
