![CAS 2173107-23-6 2,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazole hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173107-23-6.png)
CAS RN: 2173107-23-6
2,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazole hydrochloride
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.20260111 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2173107-23-6
- Purity/Analytical Methods: >99.0%
2173107-23-6 / 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole;hydrochloride
Basic Information
CAS
2173107-23-6
Multi CAS
No
Molecular Formula
C8H13ClN2
Molecular Weight
172.650000
Exact Mass
172.076726
SMILES
C1CCC2=C(CC1)NN=C2.Cl
InChI
InChI=1S/C8H12N2.ClH/c1-2-4-7-6-9-10-8(7)5-3-1;/h6H,1-5H2,(H,9,10);1H
InChIKey
WBUMSDMAROPXCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.09
TPSA
28.68
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.28
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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