CAS RN: 1940-45-0
Phenol, 6-bromo-2,3-dichloro-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260418 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1940-45-0
- Purity/Analytical Methods: >99.0%
1940-45-0 / 6-bromo-2,3-dichlorophenol
Basic Information
CAS
1940-45-0
Multi CAS
No
Molecular Formula
C6H3BrCl2O
Molecular Weight
241.890000
Exact Mass
239.874430
SMILES
C1=CC(=C(C(=C1Cl)Cl)O)Br
InChI
InChI=1S/C6H3BrCl2O/c7-3-1-2-4(8)5(9)6(3)10/h1-2,10H
InChIKey
SPPAUPWRNOGNLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.83
TPSA
20.23
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
3.8
Consensus LogP
3.44
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74
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 1940-82-5 Metaraminol Related Compound B (25 mg) (2-Amino-1-[3-(benzyloxy)phenyl]propan-1-ol) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Metaraminol Related Compound B (25 mg) (2-Amino-1-[3-(benzyloxy)phenyl]propan-1-ol)
- CAS RN: 1940-82-5
- Product Code: starshine_CAS1940-82-5
- Purity/Analytical method: >99.0%
-
-
1-[4-(2-PHENYLETH-1-YNYL)PHENYL]ETHAN-1-ONE
- CAS RN: 1942-31-0
- Product Code: starshine_CAS1942-31-0
- Purity/Analytical method: >99.0%
-
2-(4-TERT-BUTYLPHENOXY)CYCLOHEXANOL
- CAS RN: 1942-71-8
- Product Code: starshine_CAS1942-71-8
- Purity/Analytical method: >99.0%
-
-
![CAS 1940-82-5 Metaraminol Related Compound B (25 mg) (2-Amino-1-[3-(benzyloxy)phenyl]propan-1-ol) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1940-82-5.gif)
![CAS 1942-31-0 1-[4-(2-PHENYLETH-1-YNYL)PHENYL]ETHAN-1-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1942-31-0.gif)
