CAS RN: 949465-79-6
5-(3-chloro-2-fluorobenzyl)-2,4-diMethoxybenzoic acid
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.20260122 | 100mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-210132
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
949465-79-6 / 5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxybenzoic acid
Basic Information
CAS
949465-79-6
Multi CAS
No
Molecular Formula
C16H14CLFO4
Molecular Weight
324.730000
Exact Mass
324.056465
InChI
InChI=1S/C16H14ClFO4/c1-21-13-8-14(22-2)11(16(19)20)7-10(13)6-9-4-3-5-12(17)15(9)18/h3-5,7-8H,6H2,1-2H3,(H,19,20)
InChIKey
KMMMWZNGDLRCHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.72
TPSA
55.76
LogP / Solubility
WLOGP
3.79
MLOGP
3.35
XLogP3
4
Consensus LogP
3.71
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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