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CAS 325775-36-8 1-BOC-3-CBZ-AMINOPYRROLIDINE molecular structure lightbox
CAS RN: 325775-36-8

1-BOC-3-CBZ-AMINOPYRROLIDINE

  • Product code: SSC-138189
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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: ＞97%
  • 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 325775-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

325775-36-8 / tert-butyl 3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate

Standard CAS: 325775-36-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
325775-36-8
Multi CAS
Yes
Molecular Formula
C17H24N2O4
Molecular Weight
320.400000
Exact Mass
320.173607
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-9-14(11-19)18-15(20)22-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20)
InChIKey
WLSYDQGCKDPQPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.97
TPSA
67.87

LogP / Solubility

WLOGP
2.92
MLOGP
2.59
XLogP3
2.5
Consensus LogP
2.67
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
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)
-2.6

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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