CAS RN: 2204091-98-3
(3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)methanol*
- Product code: SSC-106022
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2204091-98-3 / [5-methyl-2-(oxan-2-yl)pyrazol-3-yl]methanol
Basic Information
CAS
2204091-98-3
Multi CAS
No
Molecular Formula
C10H16N2O2
Molecular Weight
196.250000
Exact Mass
196.121178
SMILES
CC1=NN(C(=C1)CO)C2CCCCO2
InChI
InChI=1S/C10H16N2O2/c1-8-6-9(7-13)12(11-8)10-4-2-3-5-14-10/h6,10,13H,2-5,7H2,1H3
InChIKey
VFODNLQABSCMSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.73
TPSA
47.28
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
0.5
Consensus LogP
1.03
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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