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CAS 1027511-74-5 3-Boc-Amino-1-benzylpyrrolidine-3-carboxylic acid molecular structure lightbox
CAS RN: 1027511-74-5

3-Boc-Amino-1-benzylpyrrolidine-3-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-004080
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1027511-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1027511-74-5 / 1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid

1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylic acid | MFCD09838930 | 1-Benzyl-3-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylic acid

Standard CAS: 1027511-74-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1027511-74-5
Multi CAS
Yes
Molecular Formula
C17H24N2O4
Molecular Weight
320.400000
Exact Mass
320.173607
SMILES
CC(C)(C)OC(=O)NC1(CCN(C1)CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H24N2O4/c1-16(2,3)23-15(22)18-17(14(20)21)9-10-19(12-17)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,22)(H,20,21)
InChIKey
PXFJWKWTINVBAL-UHFFFAOYSA-N
Synonyms
1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylic acid MFCD09838930 1-Benzyl-3-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylic acid 1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid 1-benzyl-3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.07
TPSA
78.87

LogP / Solubility

WLOGP
2.24
MLOGP
1.99
XLogP3
-0.2
Consensus LogP
1.34
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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)
-3.08

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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