CAS RN: 440122-66-7
7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
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.20251203 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS440122-66-7
- Purity/Analytical Methods: >99.0%
440122-66-7 / (4-bromophenyl)-(4-nitrophenyl)methanone
Basic Information
CAS
440122-66-7
Multi CAS
Yes
Molecular Formula
BC13H8O3Rn
Molecular Weight
306.110000
Exact Mass
304.968760
InChI
InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H
InChIKey
BAAILVWEAXFTSF-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
3.9
Consensus LogP
3.55
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
-
-
N2-iso-Butyroyl-2′-O-(2-methoxyethyl)guanosine
- CAS RN: 440327-50-4
- Product Code: SSC-152101
-
-
9-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9H -carbazole
- CAS RN: 440354-93-8
- Product Code: starshine_CAS440354-93-8
- Purity/Analytical method: >99.0%
-
CeMMEC1
- CAS RN: 440662-09-9
- Product Code: starshine_CAS440662-09-9
- Purity/Analytical method: >99.0%
-
Ethyl 2-(acetylamino)-3-[3,5-diamino-4-(4-methoxyphenoxy)phenyl]propanoate
- CAS RN: 440667-78-7
- Product Code: starshine_CAS440667-78-7
- Purity/Analytical method: >99.0%
![CAS 440667-78-7 Ethyl 2-(acetylamino)-3-[3,5-diamino-4-(4-methoxyphenoxy)phenyl]propanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/440667-78-7.gif)