CAS RN: 94285-06-0
Dihydromicromelin B
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.20251031 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS94285-06-0
- Purity/Analytical Methods: >99.0%
94285-06-0 / 6-[(1R,2R,4R,5R)-4-hydroxy-5-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-7-methoxychromen-2-one
Basic Information
CAS
94285-06-0
Multi CAS
Yes
Molecular Formula
C15H14O6
Molecular Weight
290.270000
Exact Mass
290.079038
InChI
InChI=1S/C15H14O6/c1-15-13(21-15)12(20-14(15)17)8-5-7-3-4-11(16)19-9(7)6-10(8)18-2/h3-6,12-14,17H,1-2H3/t12-,13-,14-,15-/m1/s1
InChIKey
MBQNFMDTXFFAJQ-KBUPBQIOSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
72.15
TPSA
81.43
LogP / Solubility
WLOGP
1.35
MLOGP
1.2
XLogP3
0.8
Consensus LogP
1.12
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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