![CAS 346579-89-3 3-[(2,5-DIMETHYL-FURAN-3-CARBONYL)-AMINO]-BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4161921(1).gif)
CAS RN: 346579-89-3
3-[(2,5-DIMETHYL-FURAN-3-CARBONYL)-AMINO]-BENZOIC ACID
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-141198
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 |
346579-89-3 / 3-[(2,5-dimethylfuran-3-carbonyl)amino]benzoic acid
Basic Information
CAS
346579-89-3
Multi CAS
No
Molecular Formula
C14H13NO4
Molecular Weight
259.260000
Exact Mass
259.084458
InChI
InChI=1S/C14H13NO4/c1-8-6-12(9(2)19-8)13(16)15-11-5-3-4-10(7-11)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKey
MRKCFCRNCNACNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.54
TPSA
79.54
LogP / Solubility
WLOGP
2.85
MLOGP
2.51
XLogP3
2.1
Consensus LogP
2.49
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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