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: 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
72678-19-4 / 2,6-dibromo-4-(trifluoromethyl)aniline
Basic Information
CAS
72678-19-4
Multi CAS
No
Molecular Formula
C7H4BR2F3N
Molecular Weight
318.920000
Exact Mass
318.864210
InChI
InChI=1S/C7H4Br2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
InChIKey
DRSMEHXBOXHXDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.26
TPSA
26.02
LogP / Solubility
WLOGP
3.81
MLOGP
3.37
XLogP3
3.5
Consensus LogP
3.56
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
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
-
![CAS 72678-96-7 2-BENZO[D]1,3-DIOXOLEN-5-YL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-BENZO[D]1,3-DIOXOLEN-5-YL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
- CAS RN: 72678-96-7
- Product Code: starshine_CAS72678-96-7
- Purity/Analytical method: >99.0%
-
-
6-Ethoxy-2(3H)-benzothiazolone
- CAS RN: 72680-01-4
- Product Code: starshine_CAS72680-01-4
- Purity/Analytical method: >99.0%
-
METHYL (2S)-2-AMINO-3-(2-HYDROXYPHENYL)PROPANOATE
- CAS RN: 72683-80-8
- Product Code: SSC-182177
-
N-benzoyl-2′-O-(tert-butyldimethylsilyl)cytidine
- CAS RN: 72687-01-5
- Product Code: starshine_CAS72687-01-5
- Purity/Analytical method: >99.0%
-
DEHYDRO-L-(+)-ASCORBIC ACID DIMER
- CAS RN: 72691-25-9
- Product Code: starshine_CAS72691-25-9
- Purity/Analytical method: >99.0%
![CAS 72678-96-7 2-BENZO[D]1,3-DIOXOLEN-5-YL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2123398.gif)
