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CAS 872714-75-5 tert-butyl (3S)-3-({[(benzyloxy)carbonyl]amino}methyl)pyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 872714-75-5

tert-butyl (3S)-3-({[(benzyloxy)carbonyl]amino}methyl)pyrrolidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-197051
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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 872714-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

872714-75-5 / tert-butyl (3R)-3-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate

Standard CAS: 872714-75-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
872714-75-5
Multi CAS
Yes
Molecular Formula
C18H26N2O4
Molecular Weight
334.400000
Exact Mass
334.189257
InChI
InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-10-9-15(12-20)11-19-16(21)23-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKey
ZBUKRLSPLMADFS-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.54
TPSA
67.87

LogP / Solubility

WLOGP
3.17
MLOGP
2.81
XLogP3
2.7
Consensus LogP
2.89
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
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)
-2.51

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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