CAS RN: 81486-17-1
3,4-dihydro-2H-chromene-3,8-diol
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.20260628 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS81486-17-1
- Purity/Analytical Methods: >99.0%
81486-17-1 / 3,4-dihydro-2H-chromene-3,8-diol
Basic Information
CAS
81486-17-1
Multi CAS
No
Molecular Formula
C9H10O3
Molecular Weight
166.170000
Exact Mass
166.062994
InChI
InChI=1S/C9H10O3/c10-7-4-6-2-1-3-8(11)9(6)12-5-7/h1-3,7,10-11H,4-5H2
InChIKey
UANJXJQTNXYKEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.31
TPSA
49.69
LogP / Solubility
WLOGP
0.69
MLOGP
0.6
XLogP3
1
Consensus LogP
0.76
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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)
-3.25
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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