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: 0.1g, 0.25g, 1g, 5g
- Available purity: >96%
- Inventory rows with stock: 3
- 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.
312924-93-9 / 3,7-dibromo-10-hexylphenothiazine
Basic Information
CAS
312924-93-9
Multi CAS
Yes
Molecular Formula
C18H19BR2NS
Molecular Weight
441.200000
Exact Mass
440.958450
InChI
InChI=1S/C18H19Br2NS/c1-2-3-4-5-10-21-15-8-6-13(19)11-17(15)22-18-12-14(20)7-9-16(18)21/h6-9,11-12H,2-5,10H2,1H3
InChIKey
AQBNVQQWRLWFGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
103.56
TPSA
3.24
LogP / Solubility
WLOGP
7.39
MLOGP
6.54
XLogP3
7.5
Consensus LogP
7.14
Log S (ESOL)
-7.31
Class (ESOL)
Insoluble
Log S (Ali)
-8.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
![CAS 39073-07-9 2,7-Dibromodibenzo[b,e][1,4]dioxin molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5528-jpgcontextbwfzdgvyfhjvb3r8mjk3odd8aw1hz2uvanblz3xon2evadc4lzg5mza0ndiwodqzodivrdu1mjguanbnfdezmjdmogmzymjhztgwzjhiotk4mgnlztq2ywflnzjhndu4yzyxnja1ntvinjrmmzy5zmmzztkxowvjmgy2zjq.jpeg)
