CAS RN: 688352-84-3
R243
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250707 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS688352-84-3
- Purity/Analytical Methods: >99.0%
688352-84-3 / 7-[2-(1-adamantyloxy)ethyl]-6,8-dihydro-[1,3]dioxolo[4,5-g][1,3]benzoxazine
Basic Information
CAS
688352-84-3
Multi CAS
Yes
Molecular Formula
C21H27NO4
Molecular Weight
357.400000
Exact Mass
357.194008
InChI
InChI=1S/C21H27NO4/c1(2-26-21-8-14-3-15(9-21)5-16(4-14)10-21)22-11-17-6-19-20(25-13-24-19)7-18(17)23-12-22/h6-7,14-16H,1-5,8-13H2
InChIKey
JJMLDSFDOODCIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
95.33
TPSA
40.16
LogP / Solubility
WLOGP
3.55
MLOGP
3.15
XLogP3
3.9
Consensus LogP
3.53
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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