CAS RN: 259223-06-8
4-Bromo-N,N-bis(2-bromoethyl)benzenamine
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.20260114 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS259223-06-8
- Purity/Analytical Methods: >99.0%
259223-06-8 / 4-bromo-N,N-bis(2-bromoethyl)aniline
Basic Information
CAS
259223-06-8
Multi CAS
No
Molecular Formula
C10H12Br3N
Molecular Weight
385.920000
Exact Mass
384.849940
SMILES
C1=CC(=CC=C1N(CCBr)CCBr)Br
InChI
InChI=1S/C10H12Br3N/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8H2
InChIKey
YNRKEEATTQPNTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
73.94
TPSA
3.24
LogP / Solubility
WLOGP
4.05
MLOGP
3.58
XLogP3
4.3
Consensus LogP
3.98
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.2
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
-
DL-LEUCINE-4,5,5,5,6,6,6-D7
- CAS RN: 259225-40-6
- Product Code: starshine_CAS259225-40-6
- Purity/Analytical method: >99.0%
-
-
4-Pyridinemethanamine, 2-chloro-α,α-dimethyl-
- CAS RN: 259248-41-4
- Product Code: SSC-122635
-
-
FP-Biotin
- CAS RN: 259270-28-5
- Product Code: starshine_CAS259270-28-5
- Purity/Analytical method: >99.0%
-
4-(4-fluorophenyl)-2-methyl-6-[5-(1-piperidyl)pentoxy]pyrimidine
- CAS RN: 259525-01-4
- Product Code: starshine_CAS259525-01-4
- Purity/Analytical method: >99.0%
![CAS 259525-01-4 4-(4-fluorophenyl)-2-methyl-6-[5-(1-piperidyl)pentoxy]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/259525-01-4.gif)