CAS RN: 1638920-41-8
2-azaspiro[3.4]octan-6-ol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20250302 |
1g |
Out of stock |
8-10 business days | Inquiry |
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Product code:
starshine_CAS1638920-41-8
-
Purity/Analytical Methods:
>99.0%
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1638920-41-8 / 2-azaspiro[3.4]octan-6-ol
Standard CAS: 1638920-41-8
Multi CAS: No
Basic Information
CAS
1638920-41-8
Multi CAS
No
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
SMILES
C1CC2(CC1O)CNC2
InChI
InChI=1S/C7H13NO/c9-6-1-2-7(3-6)4-8-5-7/h6,8-9H,1-5H2
InChIKey
JVEMDMMDFHXQSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.16
TPSA
32.26
LogP / Solubility
WLOGP
0.12
MLOGP
0.1
XLogP3
-0.1
Consensus LogP
0.04
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3