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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Beijing | Inquiry |
84738-35-2 / 5-(5-carboxyfuran-2-yl)furan-2-carboxylic acid
Basic Information
CAS
84738-35-2
Multi CAS
Yes
Molecular Formula
C10H6O6
Molecular Weight
222.150000
Exact Mass
222.016438
InChI
InChI=1S/C10H6O6/c11-9(12)7-3-1-5(15-7)6-2-4-8(16-6)10(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKey
RYXMQWKLSUMGJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.33
TPSA
100.88
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.5
Consensus LogP
1.72
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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