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CAS 872716-54-6 tert-butyl N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]carbamate molecular structure lightbox
CAS RN: 872716-54-6

tert-butyl N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]carbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-197054
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 872716-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

872716-54-6 / tert-butyl N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]carbamate

Standard CAS: 872716-54-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
872716-54-6
Multi CAS
Yes
Molecular Formula
C18H28N2O2
Molecular Weight
304.400000
Exact Mass
304.215078
InChI
InChI=1S/C18H28N2O2/c1-17(2,3)22-16(21)19-13-18(4)10-11-20(14-18)12-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,19,21)
InChIKey
YQMJRJFNTXEFIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.68
TPSA
41.57

LogP / Solubility

WLOGP
3.42
MLOGP
3.03
XLogP3
3.2
Consensus LogP
3.22
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

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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