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CAS 1820675-44-2 tert-Butyl 1-Cbz-pyrrolidine-3-carboxylate molecular structure lightbox
CAS RN: 1820675-44-2

tert-Butyl 1-Cbz-pyrrolidine-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-082876
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1820675-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry

1820675-44-2 / 1-O-benzyl 3-O-tert-butyl pyrrolidine-1,3-dicarboxylate

Standard CAS: 1820675-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820675-44-2
Multi CAS
No
Molecular Formula
C17H23NO4
Molecular Weight
305.400000
Exact Mass
305.162708
SMILES
CC(C)(C)OC(=O)C1CCN(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H23NO4/c1-17(2,3)22-15(19)14-9-10-18(11-14)16(20)21-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKey
JCJWUFNTUBAWTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
82.15
TPSA
55.84

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.6
Consensus LogP
2.74
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-2.46

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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