CAS RN: 51339-38-9
3-BROMO-3′-NITROBENZOPHENONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251106 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS51339-38-9
- Purity/Analytical Methods: >99.0%
51339-38-9 / (3-bromophenyl)-(3-nitrophenyl)methanone
Basic Information
CAS
51339-38-9
Multi CAS
No
Molecular Formula
BC13H8O3Rn
Molecular Weight
306.110000
Exact Mass
304.968760
InChI
InChI=1S/C13H8BrNO3/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(8-10)15(17)18/h1-8H
InChIKey
DVLBPSMGXKOSNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
70.67
TPSA
60.21
LogP / Solubility
WLOGP
3.59
MLOGP
3.17
XLogP3
4
Consensus LogP
3.59
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
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
-
-
4-(2-N,N-Dimethylaminoethoxyl)-1-nitrobenzene
- CAS RN: 51344-13-9
- Product Code: SSC-158196
-
N,N-Dimethyl-2-(p-tolyloxy)ethanamine
- CAS RN: 51344-14-0
- Product Code: starshine_CAS51344-14-0
- Purity/Analytical method: >99.0%
-
-
EHNA HYDROCHLORIDE
- CAS RN: 51350-19-7
- Product Code: starshine_CAS51350-19-7
- Purity/Analytical method: >99.0%
-
PRL-8-53
- CAS RN: 51352-88-6
- Product Code: starshine_CAS51352-88-6
- Purity/Analytical method: >99.0%
