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: 100g
- 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 |
|---|---|---|---|---|
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
699-98-9 / furo[3,4-b]pyridine-5,7-dione
Basic Information
CAS
699-98-9
Multi CAS
Yes
Molecular Formula
C7H3NO3
Molecular Weight
149.100000
Exact Mass
149.011293
InChI
InChI=1S/C7H3NO3/c9-6-4-2-1-3-8-5(4)7(10)11-6/h1-3H
InChIKey
MCQOWYALZVKMAR-UHFFFAOYSA-N
Physical Properties
Physical Description
Beige powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
4
Molar refractivity
33.98
TPSA
56.26
LogP / Solubility
WLOGP
0.39
MLOGP
0.34
XLogP3
0.6
Consensus LogP
0.44
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.35
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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- CAS RN: 5444-02-0
- Product Code: ICTC2620
- Purity/Analytical method: >95.0%(T)
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