CAS RN: 2098127-37-6
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.20250101 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2098127-37-6
- Purity/Analytical Methods: >99.0%
2098127-37-6 / (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;hydrochloride
Basic Information
CAS
2098127-37-6
Multi CAS
No
Molecular Formula
C6H12ClNO
Molecular Weight
149.620000
Exact Mass
149.060742
SMILES
C1[C@@H]2COC[C@H]2CN1.Cl
InChI
InChI=1S/C6H11NO.ClH/c1-5-3-8-4-6(5)2-7-1;/h5-7H,1-4H2;1H/t5-,6-;/m1./s1
InChIKey
AZDCBNXQNYXXEO-KGZKBUQUSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.92
TPSA
21.26
LogP / Solubility
WLOGP
0.27
MLOGP
0.24
XLogP3
0.27
Consensus LogP
0.26
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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