CAS RN: 7734-92-1
“5-methyl-(R)-(-)-Mellein, 5-methyl-(S)-(+)-Mellein”
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.20250927 | 50mg / 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS7734-92-1
- Purity/Analytical Methods: >99.0%
7734-92-1 / 8-hydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
Basic Information
CAS
7734-92-1
Multi CAS
Yes
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
InChI
InChI=1S/C11H12O3/c1-6-3-4-9(12)10-8(6)5-7(2)14-11(10)13/h3-4,7,12H,5H2,1-2H3/t7-/m1/s1
InChIKey
YETSBBYQOFXYGV-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.43
TPSA
46.53
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
2.8
Consensus LogP
2.06
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- CAS RN: 7738-99-0
- Product Code: starshine_CAS7738-99-0
- Purity/Analytical method: >99.0%
