CAS RN: 154706-44-2
3-MethoxyMollugin
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.20251117 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS154706-44-2
- Purity/Analytical Methods: >99.0%
154706-44-2 / methyl 6-hydroxy-3-methoxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
Basic Information
CAS
154706-44-2
Multi CAS
No
Molecular Formula
C18H18O5
Molecular Weight
314.300000
Exact Mass
314.115424
SMILES
CC1(C(=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)OC)C
InChI
InChI=1S/C18H18O5/c1-18(2)13(21-3)9-12-14(17(20)22-4)15(19)10-7-5-6-8-11(10)16(12)23-18/h5-9,19H,1-4H3
InChIKey
OCQKAHAAVZGZPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.28
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
86.65
TPSA
64.99
LogP / Solubility
WLOGP
3.49
MLOGP
3.09
XLogP3
3.8
Consensus LogP
3.46
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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