![CAS 1823960-21-9 6-OXASPIRO[3.4]OCTAN-1-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823960-21-9.gif)
CAS RN: 1823960-21-9
6-OXASPIRO[3.4]OCTAN-1-OL
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.20250526 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1823960-21-9
- Purity/Analytical Methods: >99.0%
1823960-21-9 / 6-oxaspiro[3.4]octan-3-ol
Basic Information
CAS
1823960-21-9
Multi CAS
No
Molecular Formula
C7H12O2
Molecular Weight
128.170000
Exact Mass
128.083730
SMILES
C1CC2(C1O)CCOC2
InChI
InChI=1S/C7H12O2/c8-6-1-2-7(6)3-4-9-5-7/h6,8H,1-5H2
InChIKey
UVQVYZZBAUFHAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.11
TPSA
29.46
LogP / Solubility
WLOGP
0.55
MLOGP
0.47
XLogP3
0.2
Consensus LogP
0.41
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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