CAS RN: 1929606-78-9
4-Bromo-6-fluoro-1,3-benzoxazole
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.20250527 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1929606-78-9
- Purity/Analytical Methods: >99.0%
1929606-78-9 / 4-bromo-6-fluoro-1,3-benzoxazole
Basic Information
CAS
1929606-78-9
Multi CAS
No
Molecular Formula
C7H3BrFNO
Molecular Weight
216.010000
Exact Mass
214.938200
SMILES
C1=C(C=C(C2=C1OC=N2)Br)F
InChI
InChI=1S/C7H3BrFNO/c8-5-1-4(9)2-6-7(5)10-3-11-6/h1-3H
InChIKey
UUMOCNVCZVQRDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
41.67
TPSA
26.03
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-ethoxypropanoic acid
- CAS RN: 1931107-98-0
- Product Code: SSC-090291
-
(2R,4S)-5-(4-BROMOPHENYL)-4-(BOC-AMINO)-2-METHYLPENTANOIC ACID
- CAS RN: 1931129-44-0
- Product Code: SSC-090292
-
[1,1′:3′,1”:3”,1”’-Quaterphenyl]-4,4”’-dicarboxylic acid, 5′,5”-bis(4-carboxyphenyl)-4”,6′-dimethoxy-
- CAS RN: 1931172-14-3
- Product Code: starshine_CAS1931172-14-3
- Purity/Analytical method: >99.0%
-
Cyclobutanecarboxylic acid, 3-bromo-, trans-
- CAS RN: 1931900-04-7
- Product Code: SSC-090312
-
(9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-D-Thr-OH
- CAS RN: 1931907-74-2
- Product Code: SSC-090313
-
Carbamic acid, N-[(3S,4R)-4-methoxy-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
- CAS RN: 1931911-57-7
- Product Code: SSC-090315
![CAS 1931172-14-3 [1,1′:3′,1”:3”,1”’-Quaterphenyl]-4,4”’-dicarboxylic acid, 5′,5”-bis(4-carboxyphenyl)-4”,6′-dimethoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1931172-14-3.gif)
![CAS 1931907-74-2 (9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-D-Thr-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1931907-74-2.gif)
![CAS 1931911-57-7 Carbamic acid, N-[(3S,4R)-4-methoxy-3-pyrrolidinyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1931911-57-7.gif)