![CAS 949008-41-7 6-bromo-2,2-dimethyl-4H-benzo[1,4]oxazin-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/949008-41-7.gif)
CAS RN: 949008-41-7
6-bromo-2,2-dimethyl-4H-benzo[1,4]oxazin-3-one
- Product code: SSC-210097
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: 1g, 5g, 10g, 0.1g, 0.25g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 4 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥97% | 3 In Stock | Beijing | Inquiry |
| 0.25g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
949008-41-7 / 6-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one
Basic Information
CAS
949008-41-7
Multi CAS
No
Molecular Formula
BC10H10O2Rn
Molecular Weight
256.100000
Exact Mass
254.989490
InChI
InChI=1S/C10H10BrNO2/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)14-10/h3-5H,1-2H3,(H,12,13)
InChIKey
CHVWBFMSOWQLGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.48
TPSA
38.33
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2.2
Consensus LogP
2.34
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(tert-Butyl)picoliniMidaMide hydrochloride
- CAS RN: 949010-62-2
- Product Code: SSC-210099
-
Benzoic acid, 5-broMo-2-fluoro-4-Methoxy-
- CAS RN: 949014-42-0
- Product Code: starshine_CAS949014-42-0
- Purity/Analytical method: >99.0%
-
1H-pyrazole-1-propanoic acid, 4-formyl-3,5-dimethyl-, meth
- CAS RN: 949020-60-4
- Product Code: SSC-210100
-
SodiuM forMononetin-3′-sulfonate
- CAS RN: 949021-68-5
- Product Code: starshine_CAS949021-68-5
- Purity/Analytical method: >99.0%
-
(4S,5R)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylic acid
- CAS RN: 949023-16-9
- Product Code: SSC-210101
-
