CAS RN: 55481-88-4
Mollugin
Product Availability
Choose a grade to view its available package options.
12 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251204 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260117 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260402 | 1g | Out of stock | Inquiry | |
| Batchno.20260607 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260127 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250312 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251021 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250625 | 5mg | In stock | Shanghai | Inquiry |
- Product code: ICTM3091
- Purity/Analytical Methods: >98.0%(HPLC)
55481-88-4 / methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
Basic Information
CAS
55481-88-4
Multi CAS
Yes
Molecular Formula
C17H16O4
Molecular Weight
284.310000
Exact Mass
284.104859
InChI
InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
InChIKey
VLGATXOTCNBWIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.69
TPSA
55.76
LogP / Solubility
WLOGP
3.52
MLOGP
3.1
XLogP3
4.1
Consensus LogP
3.57
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
