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CAS 351360-61-7 (4-PHENYLPYRROLIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 351360-61-7

(4-PHENYLPYRROLIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER

  • Product code: SSC-141951
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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 351360-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

351360-61-7 / tert-butyl N-(4-phenylpyrrolidin-3-yl)carbamate

Standard CAS: 351360-61-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
351360-61-7
Multi CAS
Yes
Molecular Formula
C15H22N2O2
Molecular Weight
262.350000
Exact Mass
262.168128
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-10-16-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)/t12-,13+/m0/s1
InChIKey
OQKMVLIVAWGYRD-QWHCGFSZSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.21
TPSA
50.36

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
2.1
Consensus LogP
2.12
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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