![CAS 1199792-83-0 (R)-5-METHYL-4,7-DIAZASPIRO[2.5]OCTANE 2HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1199792-83-0.gif)
CAS RN: 1199792-83-0
(R)-5-METHYL-4,7-DIAZASPIRO[2.5]OCTANE 2HCL
Product Availability
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4 package records0 with current stock2 grade groups
- Product code: starshine_CAS1199792-83-0
- Purity/Analytical Methods: >99.0%
1199792-83-0 / (5R)-5-methyl-4,7-diazaspiro[2.5]octane;dihydrochloride
(R)-5-Methyl-4,7-diazaspiro[2.5]octane dihydrochloride | (R)-5-Methyl-4,7-diazaspiro[2.5]octanedihydrochloride | MFCD25541960
Basic Information
CAS
1199792-83-0
Multi CAS
Yes
Molecular Formula
C7H16Cl2N2
Molecular Weight
199.120000
Exact Mass
198.069054
SMILES
C[C@@H]1CNCC2(N1)CC2.Cl.Cl
InChI
InChI=1S/C7H14N2.2ClH/c1-6-4-8-5-7(9-6)2-3-7;;/h6,8-9H,2-5H2,1H3;2*1H/t6-;;/m1../s1
InChIKey
IVGBVHLSHNCEEE-QYCVXMPOSA-N
Synonyms
(R)-5-Methyl-4,7-diazaspiro[2.5]octane dihydrochloride
(R)-5-Methyl-4,7-diazaspiro[2.5]octanedihydrochloride
MFCD25541960
(R)-5-METHYL-4,7-DIAZASPIRO[2.5]OCTANE 2HCL
SCHEMBL1508947
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.93
TPSA
24.06
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.94
Consensus LogP
0.9
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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