CAS RN: 176435-54-4
Cis-3,4-Dimethyltetrahydrofuran-3-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.20250120 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS176435-54-4
- Purity/Analytical Methods: >99.0%
176435-54-4 / (3S,4S)-3,4-dimethyloxolan-3-ol
Basic Information
CAS
176435-54-4
Multi CAS
No
Molecular Formula
C6H12O2
Molecular Weight
116.160000
Exact Mass
116.083730
SMILES
C[C@H]1COC[C@@]1(C)O
InChI
InChI=1S/C6H12O2/c1-5-3-8-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKey
WKNCNSVFSAEVAQ-NTSWFWBYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.61
TPSA
29.46
LogP / Solubility
WLOGP
0.4
MLOGP
0.35
XLogP3
0.2
Consensus LogP
0.32
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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