CAS RN: 438221-62-6
3-(3-CHLORO-4-FLUORO-PHENOXYMETHYL)-4-METHOXY-BENZALDEHYDE
- Product code: SSC-151900
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
438221-62-6 / 3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxybenzaldehyde
Basic Information
CAS
438221-62-6
Multi CAS
No
Molecular Formula
C15H12CLFO3
Molecular Weight
294.700000
Exact Mass
294.045900
InChI
InChI=1S/C15H12ClFO3/c1-19-15-5-2-10(8-18)6-11(15)9-20-12-3-4-14(17)13(16)7-12/h2-8H,9H2,1H3
InChIKey
VQWQSTGVJDBHFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
74.12
TPSA
35.53
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
3.5
Consensus LogP
3.6
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
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
-
-
6-Oxo Norethindrone Acetate
- CAS RN: 438244-27-0
- Product Code: starshine_CAS438244-27-0
- Purity/Analytical method: >99.0%
![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)
