![CAS 1221792-15-9 5,6,7,8-Tetrahydro-4H-pyrazolo[1,5-a][1,4]-diazepin-2-ylmethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221792-15-9.gif)
CAS RN: 1221792-15-9
5,6,7,8-Tetrahydro-4H-pyrazolo[1,5-a][1,4]-diazepin-2-ylmethanol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251220 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1221792-15-9
- Purity/Analytical Methods: >99.0%
1221792-15-9 / 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethanol
Basic Information
CAS
1221792-15-9
Multi CAS
No
Molecular Formula
C8H13N3O
Molecular Weight
167.210000
Exact Mass
167.105862
SMILES
C1CNCC2=CC(=NN2C1)CO
InChI
InChI=1S/C8H13N3O/c12-6-7-4-8-5-9-2-1-3-11(8)10-7/h4,9,12H,1-3,5-6H2
InChIKey
OMXZUACVERIOMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.47
TPSA
50.08
LogP / Solubility
WLOGP
-0.13
MLOGP
-0.12
XLogP3
-1.1
Consensus LogP
-0.45
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
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)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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