CAS RN: 833-52-3
7-Hydroxycoumarin-6-carboxylic 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.20260321 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS833-52-3
- Purity/Analytical Methods: >99.0%
833-52-3 / 7-hydroxy-2-oxochromene-6-carboxylic acid
Basic Information
CAS
833-52-3
Multi CAS
No
Molecular Formula
C10H6O5
Molecular Weight
206.150000
Exact Mass
206.021523
InChI
InChI=1S/C10H6O5/c11-7-4-8-5(1-2-9(12)15-8)3-6(7)10(13)14/h1-4,11H,(H,13,14)
InChIKey
SSYRTNYKCKNPJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.11
TPSA
87.74
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.6
Consensus LogP
1.28
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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