CAS RN: 1158916-85-8
4-chloro-2-fluoro-6-Methoxybenzaldehyde
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.20250923 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-015694
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 | Beijing | Inquiry |
1158916-85-8 / 4-chloro-2-fluoro-6-methoxybenzaldehyde
4-Chloro-2-fluoro-6-methoxybenzaldehyde | Benzaldehyde, 4-chloro-2-fluoro-6-methoxy- | MFCD24686232
Basic Information
CAS
1158916-85-8
Multi CAS
No
Molecular Formula
C8H6ClFO2
Molecular Weight
188.580000
Exact Mass
188.004035
SMILES
COC1=C(C(=CC(=C1)Cl)F)C=O
InChI
InChI=1S/C8H6ClFO2/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-4H,1H3
InChIKey
ARMRZTZXCQORCY-UHFFFAOYSA-N
Synonyms
4-Chloro-2-fluoro-6-methoxybenzaldehyde
Benzaldehyde, 4-chloro-2-fluoro-6-methoxy-
MFCD24686232
SCHEMBL1478624
DTXSID70730423
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.35
TPSA
26.3
LogP / Solubility
WLOGP
2.3
MLOGP
2.02
XLogP3
2.1
Consensus LogP
2.14
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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