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CAS 878155-45-4 2-((S)-2-MethoxyMethyl-pyrrolidin-1-yl)-ethylaMine molecular structure lightbox
CAS RN: 878155-45-4

2-((S)-2-MethoxyMethyl-pyrrolidin-1-yl)-ethylaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251107 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS878155-45-4
  • Purity/Analytical Methods: >99.0%
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878155-45-4 / 2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine

Standard CAS: 878155-45-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
878155-45-4
Multi CAS
Yes
Molecular Formula
C8H18N2O
Molecular Weight
158.240000
Exact Mass
158.141913
InChI
InChI=1S/C8H18N2O/c1-11-7-8-3-2-5-10(8)6-4-9/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKey
JYPKZINBXLSDDO-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.53
TPSA
38.49

LogP / Solubility

WLOGP
0.06
MLOGP
0.04
XLogP3
-0.3
Consensus LogP
-0.07
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.21
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)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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