![CAS 2177267-25-1 Racemic-(3S,3aS,6aS)-3-methylhexahydro-2H-furo[2,3-c]pyrrole hydrochloride* molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177267-25-1.png)
CAS RN: 2177267-25-1
Racemic-(3S,3aS,6aS)-3-methylhexahydro-2H-furo[2,3-c]pyrrole 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.20251014 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2177267-25-1
- Purity/Analytical Methods: >99.0%
2177267-25-1 / (3S,3aS,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride
Basic Information
CAS
2177267-25-1
Multi CAS
No
Molecular Formula
C7H14ClNO
Molecular Weight
163.640000
Exact Mass
163.076392
SMILES
C[C@@H]1CO[C@H]2[C@@H]1CNC2.Cl
InChI
InChI=1S/C7H13NO.ClH/c1-5-4-9-7-3-8-2-6(5)7;/h5-8H,2-4H2,1H3;1H/t5-,6-,7-;/m1./s1
InChIKey
QMNZSOXJLLBRPJ-RYLOHDEPSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.51
TPSA
21.26
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
0.66
Consensus LogP
0.63
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-3.25
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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