![CAS 2096419-45-1 (5R)-5H,6H,7H-cyclopenta[c]pyridine-1,5-diamine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2096419-45-1.png)
CAS RN: 2096419-45-1
(5R)-5H,6H,7H-cyclopenta[c]pyridine-1,5-diamine dihydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250810 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2096419-45-1
- Purity/Analytical Methods: >99.0%
2096419-45-1 / (5R)-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine;dihydrochloride
Basic Information
CAS
2096419-45-1
Multi CAS
No
Molecular Formula
C8H13Cl2N3
Molecular Weight
222.110000
Exact Mass
221.048653
SMILES
C1CC2=C([C@@H]1N)C=CN=C2N.Cl.Cl
InChI
InChI=1S/C8H11N3.2ClH/c9-7-2-1-6-5(7)3-4-11-8(6)10;;/h3-4,7H,1-2,9H2,(H2,10,11);2*1H/t7-;;/m1../s1
InChIKey
WBRPPQHUNQRULX-XCUBXKJBSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.39
TPSA
64.93
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.45
Consensus LogP
1.39
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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