![CAS 875310-92-2 Bicyclo[3.1.1]heptane-1,5-diamine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875310-92-2.gif)
CAS RN: 875310-92-2
Bicyclo[3.1.1]heptane-1,5-diamine dihydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260421 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS875310-92-2
- Purity/Analytical Methods: >99.0%
875310-92-2 / bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride
Basic Information
CAS
875310-92-2
Multi CAS
No
Molecular Formula
C7H16CL2N2
Molecular Weight
199.120000
Exact Mass
198.069054
InChI
InChI=1S/C7H14N2.2ClH/c8-6-2-1-3-7(9,4-6)5-6;;/h1-5,8-9H2;2*1H
InChIKey
ATVHMPXATDIGFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.42
TPSA
52.04
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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