CAS RN: 2640378-28-3
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251021 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2640378-28-3
- Purity/Analytical Methods: >99.0%
2640378-28-3 / tert-butyl (3aS,6aR)-5-(methylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;methanesulfonic acid
Basic Information
CAS
2640378-28-3
Multi CAS
No
Molecular Formula
C14H28N2O5S
Molecular Weight
336.450000
Exact Mass
336.171893
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(C[C@H]2C1)NC.CS(=O)(=O)O
InChI
InChI=1S/C13H24N2O2.CH4O3S/c1-13(2,3)17-12(16)15-7-9-5-11(14-4)6-10(9)8-15;1-5(2,3)4/h9-11,14H,5-8H2,1-4H3;1H3,(H,2,3,4)/t9-,10+,11?;
InChIKey
SWSBXNDMDRUXOS-DIVWUKMWSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.34
TPSA
95.94
LogP / Solubility
WLOGP
1.36
MLOGP
1.21
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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