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CAS 849935-85-9 (3S,4R)-1-tert-butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate molecular structure lightbox
CAS RN: 849935-85-9

(3S,4R)-1-tert-butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate

  • Product code: SSC-192796
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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: >95%
  • Inventory rows with stock: 8
  • 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 849935-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g -- 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g -- 2 In Stock Hong Kong Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

849935-85-9 / (4R)-3-ethyl-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

Standard CAS: 849935-85-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
849935-85-9
Multi CAS
Yes
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
InChI
InChI=1S/C12H21NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKey
JHBUFXKTKCCCKA-IUCAKERBSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.17
TPSA
87.07

LogP / Solubility

WLOGP
1.08
MLOGP
0.96
XLogP3
1.1
Consensus LogP
1.05
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54

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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