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CAS 131878-23-4 (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine molecular structure lightbox
CAS RN: 131878-23-4

(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250707 10g In stock Shenzhen Inquiry
Batchno.20260211 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260601 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260426 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-038961
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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: 10g
  • 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 131878-23-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

131878-23-4 / tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate

Standard CAS: 131878-23-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
131878-23-4
Multi CAS
No
Molecular Formula
C16H24N2O2
Molecular Weight
276.370000
Exact Mass
276.183778
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKey
PHOIDJGLYWEUEK-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.49
TPSA
41.57

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

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