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 | Shanghai | Inquiry |
73289-61-9 / 2-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde
Basic Information
CAS
73289-61-9
Multi CAS
No
Molecular Formula
C9H8O4
Molecular Weight
180.160000
Exact Mass
180.042259
InChI
InChI=1S/C9H8O4/c1-13-8-2-6(4-10)9(12)7(3-8)5-11/h2-5,12H,1H3
InChIKey
OVNKSOTVZGNSRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.43
TPSA
63.6
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.09
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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5-ETHYL-2,4-PIPERIDINEDIONE
- CAS RN: 73290-32-1
- Product Code: starshine_CAS73290-32-1
- Purity/Analytical method: >99.0%
-
4-CHLOROMETHYLBENZALDEHYDE; >95%DISCONTINUED 10/25/01
- CAS RN: 73291-09-5
- Product Code: SSC-182758
