![CAS 438221-57-9 5-[(2-bromophenoxy)methyl]-2-furaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/438221-57-9.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
438221-57-9 / 5-[(2-bromophenoxy)methyl]furan-2-carbaldehyde
Basic Information
CAS
438221-57-9
Multi CAS
No
Molecular Formula
C12H9BRO3
Molecular Weight
281.100000
Exact Mass
279.973510
InChI
InChI=1S/C12H9BrO3/c13-11-3-1-2-4-12(11)15-8-10-6-5-9(7-14)16-10/h1-7H,8H2
InChIKey
MXSIOCHELDQBTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
62.57
TPSA
39.44
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
3
Consensus LogP
3.15
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly 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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-(3-CHLORO-4-FLUORO-PHENOXYMETHYL)-4-METHOXY-BENZALDEHYDE
- CAS RN: 438221-62-6
- Product Code: SSC-151900
-
5-(4-CHLORO-2-NITRO-PHENOXYMETHYL)-FURAN-2-CARBALDEHYDE
- CAS RN: 438221-71-7
- Product Code: SSC-151901
-
3-(4-IODO-PHENOXYMETHYL)-4-METHOXY-BENZALDEHYDE
- CAS RN: 438221-75-1
- Product Code: SSC-151902
-
5-CYCLOPROPYL-7-DIFLUOROMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
- CAS RN: 438227-80-6
- Product Code: starshine_CAS438227-80-6
- Purity/Analytical method: >99.0%
-
2-AMINO-6-TERT-BUTYL-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 438228-39-8
- Product Code: SSC-151903
-
![CAS 438227-80-6 5-CYCLOPROPYL-7-DIFLUOROMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6349125.gif)
![CAS 438228-39-8 2-AMINO-6-TERT-BUTYL-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB9276150.gif)
