CAS RN: 7401-03-8
Ethyl 9H-xanthene-9-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS7401-03-8
- Purity/Analytical Methods: >99.0%
7401-03-8 / ethyl 9H-xanthene-9-carboxylate
Basic Information
CAS
7401-03-8
Multi CAS
Yes
Molecular Formula
C16H14O3
Molecular Weight
254.280000
Exact Mass
254.094294
InChI
InChI=1S/C16H14O3/c1-2-18-16(17)15-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3
InChIKey
LFHPCJSHNRJCEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.43
TPSA
35.53
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
2.9
Consensus LogP
3.16
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8
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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