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CAS 1212348-80-5 4-ISOPROPYLPYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 1212348-80-5

4-ISOPROPYLPYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 50mg Out of stock 15 business days Inquiry
  • Product code: SSC-023036
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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 1212348-80-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1212348-80-5 / (3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid

(3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid | (3S,4S)-4-Isopropylpyrrolidine-3-carboxylic acid, N-BOC protected | 4-ISOPROPYLPYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER

Standard CAS: 1212348-80-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212348-80-5
Multi CAS
Yes
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CC(C)[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO4/c1-8(2)9-6-14(7-10(9)11(15)16)12(17)18-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,16)/t9-,10+/m1/s1
InChIKey
RJUJMGVDZCVHQJ-ZJUUUORDSA-N
Synonyms
(3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid (3S,4S)-4-Isopropylpyrrolidine-3-carboxylic acid, N-BOC protected 4-ISOPROPYLPYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER BOC-(+/-)-TRANS-4-ISOPROPYL-PYRROLIDINE-3-CARBOXYLIC ACID MFCD06659330

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.26
TPSA
66.84

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-2.72

Drug-likeness / Medicinal Chemistry

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

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