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CAS 155497-10-2 1-Benzyl-3-Boc-aminomethylpyrrolidine molecular structure lightbox
CAS RN: 155497-10-2

1-Benzyl-3-Boc-aminomethylpyrrolidine

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 1g In stock Inquiry
Batchno.20260416 250mg Out of stock Inquiry
Batchno.20251022 5g Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260529 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS155497-10-2
  • Purity/Analytical Methods: >99.0%
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155497-10-2 / tert-butyl N-[(1-benzylpyrrolidin-3-yl)methyl]carbamate

Standard CAS: 155497-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155497-10-2
Multi CAS
No
Molecular Formula
C17H26N2O2
Molecular Weight
290.400000
Exact Mass
290.199428
SMILES
CC(C)(C)OC(=O)NCC1CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)18-11-15-9-10-19(13-15)12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,18,20)
InChIKey
MHRKPCRXBAHJGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.06
TPSA
41.57

LogP / Solubility

WLOGP
3.03
MLOGP
2.68
XLogP3
2.8
Consensus LogP
2.84
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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