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CAS 1613023-55-4 (3R,4S)-(4-Hydroxy-pyrrolidin-3-yl)-carbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 1613023-55-4

(3R,4S)-(4-Hydroxy-pyrrolidin-3-yl)-carbamic acid tert-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-068958
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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 1613023-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1613023-55-4 / tert-butyl N-[(3R,4S)-4-hydroxypyrrolidin-3-yl]carbamate

Standard CAS: 1613023-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1613023-55-4
Multi CAS
No
Molecular Formula
C9H18N2O3
Molecular Weight
202.250000
Exact Mass
202.131742
SMILES
CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1O
InChI
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-6-4-10-5-7(6)12/h6-7,10,12H,4-5H2,1-3H3,(H,11,13)/t6-,7+/m1/s1
InChIKey
QAZVTJCOYJOJGO-RQJHMYQMSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
52.03
TPSA
70.59

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.14
XLogP3
-0.3
Consensus LogP
-0.2
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

Drug-likeness / Medicinal Chemistry

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

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