CAS RN: 1211144-22-7
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanol(SALTDATA: FREE)
- Product code: SSC-022478
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1211144-22-7 / (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanol
(5-CYCLOPROPYL-1,3,4-OXADIAZOL-2-YL)METHANOL | MFCD13188555 | SCHEMBL17629810
Basic Information
CAS
1211144-22-7
Multi CAS
No
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
SMILES
C1CC1C2=NN=C(O2)CO
InChI
InChI=1S/C6H8N2O2/c9-3-5-7-8-6(10-5)4-1-2-4/h4,9H,1-3H2
InChIKey
JCYNQTKDMQIYBZ-UHFFFAOYSA-N
Synonyms
(5-CYCLOPROPYL-1,3,4-OXADIAZOL-2-YL)METHANOL
MFCD13188555
SCHEMBL17629810
DTXSID80672421
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanol(SALTDATA: FREE)
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
32.2
TPSA
59.15
LogP / Solubility
WLOGP
0.44
MLOGP
0.38
XLogP3
-0.5
Consensus LogP
0.11
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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