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CAS 802983-66-0 3-N-BOC-3-N-METHYL-AMINOMETHYL PYRROLIDINE molecular structure lightbox
CAS RN: 802983-66-0

3-N-BOC-3-N-METHYL-AMINOMETHYL PYRROLIDINE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250401 100mg In stock Shanghai Inquiry
Batchno.20250511 10g In stock Shanghai Inquiry
Batchno.20250727 1g In stock Shanghai Inquiry
Batchno.20260418 250mg In stock Shanghai Inquiry
Batchno.20260425 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS802983-66-0
  • Purity/Analytical Methods: >99.0%
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802983-66-0 / tert-butyl N-methyl-N-(pyrrolidin-3-ylmethyl)carbamate

Standard CAS: 802983-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
802983-66-0
Multi CAS
No
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)8-9-5-6-12-7-9/h9,12H,5-8H2,1-4H3
InChIKey
ICTZUPNLSITARI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.84
TPSA
41.57

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
XLogP3
1.1
Consensus LogP
1.28
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.99

Drug-likeness / Medicinal Chemistry

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

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