![CAS 1263180-86-4 Racemic-(2R,3aR,6aR)-tert-butyl 2-(aminomethyl)tetrahydro-2H-furo[2,3-c]pyrrole-5(3H)-carboxylater(WX110546) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263180-86-4.gif)
CAS RN: 1263180-86-4
Racemic-(2R,3aR,6aR)-tert-butyl 2-(aminomethyl)tetrahydro-2H-furo[2,3-c]pyrrole-5(3H)-carboxylater(WX110546)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1263180-86-4
- Purity/Analytical Methods: >99.0%
1263180-86-4 / tert-butyl (2R,3aR,6aR)-2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
Basic Information
CAS
1263180-86-4
Multi CAS
No
Molecular Formula
C12H22N2O3
Molecular Weight
242.310000
Exact Mass
242.163043
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](O[C@H]2C1)CN
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-8-4-9(5-13)16-10(8)7-14/h8-10H,4-7,13H2,1-3H3/t8-,9-,10+/m1/s1
InChIKey
VKZFHDQGLQGCGB-BBBLOLIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.63
TPSA
64.79
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
0.3
Consensus LogP
0.71
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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