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CAS 1119512-35-4 (3R,4R)-1-(tert-butoxycarbonyl)-4-methylpyrrolidine-3-carboxylic acid molecular structure lightbox
CAS RN: 1119512-35-4

(3R,4R)-1-(tert-butoxycarbonyl)-4-methylpyrrolidine-3-carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250904 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-012427
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 1119512-35-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

1119512-35-4 / (3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

(3R,4R)-1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-3-carboxylic acid | RefChem:401032 | (3R,4R)-1-((tert-butoxy)carbonyl)-4-methylpyrrolidine-3-carboxylic acid

Standard CAS: 1119512-35-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1119512-35-4
Multi CAS
Yes
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
C[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO4/c1-7-5-12(6-8(7)9(13)14)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1
InChIKey
IPLCSDCAWNDONJ-YUMQZZPRSA-N
Synonyms
(3R,4R)-1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-3-carboxylic acid RefChem:401032 (3R,4R)-1-((tert-butoxy)carbonyl)-4-methylpyrrolidine-3-carboxylic acid 861-325-9 1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.1
TPSA
66.84

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-3

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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